 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_B3LYPDBJ-def2TZVPDr.in
 Output=02_dimethylenespyropentane_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
            -H     0
            S    3   1.00
                 34.0613410              0.60251978D-02
                  5.1235746              0.45021094D-01
                  1.1646626              0.20189726
            S    1   1.00
                  0.32723041             1.0000000
            S    1   1.00
                  0.10307241             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.95774129632D-01      1.0000000
            ****
            -He     0
            S    3   1.00
                 98.078321616            0.75803064967D-02
                 14.764404247            0.54848620937D-01
                  3.3185831473           0.22074382186
            S    1   1.00
                  0.87413869551          1.0000000
            S    1   1.00
                  0.24459897208          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.19404104917          1.0000000
            ****
            -Li     0
            S    6   1.00
               6269.2628010              0.20540968826D-03
                940.31612431             0.15916554089D-02
                214.22107528             0.82869829707D-02
                 60.759840184            0.33856374249D-01
                 19.915152032            0.11103225876
                  7.3171509797           0.27449383329
            S    2   1.00
                  2.9724674216           0.23792456411
                  1.2639852314           0.30765411924
            S    1   1.00
                  0.51427489953          1.0000000
            S    1   1.00
                  0.77030885901D-01      1.0000000
            S    1   1.00
                  0.28938896433D-01      1.0000000
            P    1   1.00
                  3.3270000              1.0000000
            P    1   1.00
                  0.4000000              1.0000000
            P    1   1.00
                  0.0600000              1.0000000
            P    1   1.00
                  0.20097234766D-01      1.0000000
            ****
            -Be     0
            S    6   1.00
               4700.2365626              0.23584389316D-03
                704.82845622             0.18243791019D-02
                160.43110478             0.93966148224D-02
                 45.425347336            0.36908924159D-01
                 14.798334125            0.10897561281
                  5.3512452537           0.21694284551
            S    2   1.00
                  2.1542044819           0.44695408857
                  0.93363744400          0.20866985771
            S    1   1.00
                  0.18791432989          1.0000000
            S    1   1.00
                  0.74648267947D-01      1.0000000
            S    1   1.00
                  0.32650484598D-01      1.0000000
            P    2   1.00
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  3.6316917145           -.29033998305D-01
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.27726324608D-01      1.0000000
            D    1   1.00
                  0.1800000              1.0000000
            ****
            -B     0
            S    6   1.00
               8564.8660687              0.22837198155D-03
               1284.1516263              0.17682576447D-02
                292.27871604             0.91407080516D-02
                 82.775469176            0.36342638989D-01
                 27.017939269            0.11063458441
                  9.8149619660           0.23367344321
            S    2   1.00
                  3.9318559059           0.41818777978
                  1.6595599712           0.22325473798
            S    1   1.00
                  0.35762965239          1.0000000
            S    1   1.00
                  0.14246277496          1.0000000
            S    1   1.00
                  0.60560594768D-01      1.0000000
            S    1   1.00
                  0.31334737069D-01      1.0000000
            P    4   1.00
                 22.453875803            0.50265575179D-02
                  5.1045058330           0.32801738965D-01
                  1.4986081344           0.13151230768
                  0.50927831315          0.33197167769
            P    1   1.00
                  0.18147077798           .47314319570
            P    1   1.00
                  0.64621893904D-01       .25802783943
            D    1   1.00
                  0.66100000             1.0000000
            D    1   1.00
                  0.19900000             1.0000000
            D    1   1.00
                  0.59549085820D-01      1.0000000
            F    1   1.00
                  0.49000000             1.0000000
            ****
            -C     0
            S    6   1.00
              13575.3496820              0.22245814352D-03
               2035.2333680              0.17232738252D-02
                463.22562359             0.89255715314D-02
                131.20019598             0.35727984502D-01
                 42.853015891            0.11076259931
                 15.584185766            0.24295627626
            S    2   1.00
                  6.2067138508           0.41440263448
                  2.5764896527           0.23744968655
            S    1   1.00
                  0.57696339419          1.0000000
            S    1   1.00
                  0.22972831358          1.0000000
            S    1   1.00
                  0.95164440028D-01      1.0000000
            S    1   1.00
                  0.48475401370D-01      1.0000000
            P    4   1.00
                 34.697232244            0.53333657805D-02
                  7.9582622826           0.35864109092D-01
                  2.3780826883           0.14215873329
                  0.81433208183          0.34270471845
            P    1   1.00
                  0.28887547253           .46445822433
            P    1   1.00
                  0.10056823671           .24955789874
            D    1   1.00
                  1.09700000             1.0000000
            D    1   1.00
                  0.31800000             1.0000000
            D    1   1.00
                  0.90985336424D-01      1.0000000
            F    1   1.00
                  0.76100000             1.0000000
            ****
            -N     0
            S    6   1.00
              19730.8006470              0.21887984991D-03
               2957.8958745              0.16960708803D-02
                673.22133595             0.87954603538D-02
                190.68249494             0.35359382605D-01
                 62.295441898            0.11095789217
                 22.654161182            0.24982972552
            S    2   1.00
                  8.9791477428           0.40623896148
                  3.6863002370           0.24338217176
            S    1   1.00
                  0.84660076805          1.0000000
            S    1   1.00
                  0.33647133771          1.0000000
            S    1   1.00
                  0.13647653675          1.0000000
            S    1   1.00
                  0.68441605847D-01      1.0000000
            P    4   1.00
                 49.200380510            0.55552416751D-02
                 11.346790537            0.38052379723D-01
                  3.4273972411           0.14953671029
                  1.1785525134           0.34949305230
            P    1   1.00
                  0.41642204972           .45843153697
            P    1   1.00
                  0.14260826011           .24428771672
            D    1   1.00
                  1.65400000             1.0000000
            D    1   1.00
                  0.46900000             1.0000000
            D    1   1.00
                  0.12829642058          1.0000000
            F    1   1.00
                  1.09300000             1.0000000
            ****
            -O     0
            S    6   1.00
              27032.3826310              0.21726302465D-03
               4052.3871392              0.16838662199D-02
                922.32722710             0.87395616265D-02
                261.24070989             0.35239968808D-01
                 85.354641351            0.11153519115
                 31.035035245            0.25588953961
            S    2   1.00
                 12.260860728            0.39768730901
                  4.9987076005           0.24627849430
            S    1   1.00
                  1.1703108158           1.0000000
            S    1   1.00
                  0.46474740994          1.0000000
            S    1   1.00
                  0.18504536357          1.0000000
            S    1   1.00
                  0.70288026270D-01      1.0000000
            P    4   1.00
                 63.274954801            0.60685103418D-02
                 14.627049379            0.41912575824D-01
                  4.4501223456           0.16153841088
                  1.5275799647           0.35706951311
            P    1   1.00
                  0.52935117943           .44794207502
            P    1   1.00
                  0.17478421270           .24446069663
            P    1   1.00
                  0.51112745706D-01      1.0000000
            D    1   1.00
                  2.31400000             1.0000000
            D    1   1.00
                  0.64500000             1.0000000
            D    1   1.00
                  0.14696477366          1.0000000
            F    1   1.00
                  1.42800000             1.0000000
            ****
            -F     0
            S    6   1.00
              35479.1004410              0.21545014888D-03
               5318.4728983              0.16700686527D-02
               1210.4810975              0.86733211476D-02
                342.85518140             0.35049933175D-01
                112.01943181             0.11165320133
                 40.714740248            0.25988506647
            S    2   1.00
                 16.039678111            0.39422966880
                  6.5038186740           0.24998238551
            S    1   1.00
                  1.5440477509           1.0000000
            S    1   1.00
                  0.61223452862          1.0000000
            S    1   1.00
                  0.24027979698          1.0000000
            S    1   1.00
                  0.90918446478D-01      1.0000000
            P    4   1.00
                 80.233900483            0.63685999134D-02
                 18.594010743            0.44303143530D-01
                  5.6867902653           0.16867248708
                  1.9511006294           0.36166346255
            P    1   1.00
                  0.66970211298           .44202901491
            P    1   1.00
                  0.21651300410           .24319875730
            P    1   1.00
                  0.59613282472D-01      1.0000000
            D    1   1.00
                  3.10700000             1.0000000
            D    1   1.00
                  0.85500000             1.0000000
            D    1   1.00
                  0.18608388111          1.0000000
            F    1   1.00
                  1.91700000             1.0000000
            ****
            -Ne     0
            S    6   1.00
              45069.4640220              0.21687155182D-03
               6755.9768656              0.16812736757D-02
               1537.6502864              0.87356062782D-02
                435.51697667             0.35361266922D-01
                142.28655638             0.11321521454
                 51.692153804            0.26654653104
            S    2   1.00
                 20.315870490            0.39631959951
                  8.2021942646           0.25582811251
            S    1   1.00
                  1.9681276278           1.0000000
            S    1   1.00
                  0.77904756001          1.0000000
            S    1   1.00
                  0.30229502043          1.0000000
            S    1   1.00
                  0.11246533684          1.0000000
            P    4   1.00
                 99.782996032            0.65569234163D-02
                 23.176124101            0.45888009138D-01
                  7.1163945872           0.17331287812
                  2.4418711435           0.36475267512
            P    1   1.00
                  0.83389605766           .43831075171
            P    1   1.00
                  0.26607311301           .24160029835
            P    1   1.00
                  0.71067552401D-01      1.0000000
            D    1   1.00
                  4.01400000             1.0000000
            D    1   1.00
                  1.09600000             1.0000000
            D    1   1.00
                  0.23044808390          1.0000000
            F    1   1.00
                  2.54400000             1.0000000
            ****
            -Na     0
            S    7   1.00
              26041.1099270              0.61806342811D-03
               3906.1268548              0.47748604414D-02
                888.97454993             0.24471684829D-01
                251.45497961             0.94755394977D-01
                 81.650143512            0.26867496920
                 28.904158401            0.47925475440
                 10.625782932            0.33248591469
            S    3   1.00
                 53.769410179            0.19527731872D-01
                 16.308243025            0.92648010794D-01
                  2.3730384125          -0.39938670172
            S    2   1.00
                  0.95730772603          1.6428595391
                  0.40806460959          0.55692596966
            S    1   1.00
                  0.49967582329D-01      1.0000000
            S    1   1.00
                  0.19268616250D-01      1.0000000
            P    5   1.00
                138.07979989             0.57951891929D-02
                 32.232700393            0.41620846251D-01
                  9.9816075360           0.16281916885
                  3.4822033928           0.36011784647
                  1.2299134620           0.44858979889
            P    1   1.00
                  0.41743959423           .23040759559
            P    1   1.00
                  0.0910000              1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            P    1   1.00
                  0.11082810218D-01      1.0000000
            D    1   1.00
                  2.6090000              1.0000000
            D    1   1.00
                  0.4300000              1.0000000
            D    1   1.00
                  0.1000000              1.0000000
            ****
            -Mg     0
            S    7   1.00
              31438.3495550              0.60912311326D-03
               4715.5153354              0.47066196465D-02
               1073.1629247              0.24135820657D-01
                303.57238768             0.93628959834D-01
                 98.626251042            0.26646742093
                 34.943808417            0.47890929917
                 12.859785199            0.33698490286
            S    3   1.00
                 64.876913004            0.19180889307D-01
                 19.725520777            0.90913704392D-01
                  2.8951804339          -0.39563756125
            S    2   1.00
                  1.1960454710           1.6827603373
                  0.54329451156          0.52141091954
            S    1   1.00
                  0.10099104092          1.0000000
            S    1   1.00
                  0.36865728085D-01      1.0000000
            P    5   1.00
                179.87189612             0.53799549018D-02
                 42.120069376            0.39318014098D-01
                 13.120503032            0.15740129476
                  4.6257503609           0.35919094128
                  1.6695211016           0.45533379310
            P    1   1.00
                  0.58551012105           .21986432910
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.24576992970D-01      1.0000000
            D    1   1.00
                  3.4440000              1.0000000
            D    1   1.00
                  0.2900000              1.0000000
            D    1   1.00
                  0.0700000              1.0000000
            ****
            -Al     0
            S    7   1.00
              37792.5507720              0.57047888709D-03
               5668.0682165              0.44093016538D-02
               1289.8582841              0.22630967411D-01
                364.86596028             0.88025644295D-01
                118.57631515             0.25223701612
                 42.024867605            0.45960547169
                 15.499501629            0.33277886014
            S    3   1.00
                 75.208026598            0.19250560190D-01
                 23.031408972            0.87906743952D-01
                  3.6348797649          -0.34246704535
            S    2   1.00
                  1.6065049957           1.5106266058
                  0.76103394581          0.58071016470
            S    1   1.00
                  0.16556708849          1.0000000
            S    1   1.00
                  0.60041577113D-01      1.0000000
            S    1   1.00
                  0.28536651434D-01      1.0000000
            P    5   1.00
                452.52303192             0.23110812466D-02
                107.08195049             0.18568641823D-01
                 34.131021255            0.87216237035D-01
                 12.587037428            0.26902101523
                  4.9811919704           0.52128324272
            P    1   1.00
                  2.0070350900            .60271687494
            P    1   1.00
                  0.80083714374          1.0000000
            P    1   1.00
                  0.20178927472          1.0000000
            P    1   1.00
                  0.57895550392D-01      1.0000000
            D    2   1.00
                  1.57000000             0.20000000
                  0.333000000            1.00000000
            D    1   1.00
                  0.111000000            1.0000000
            D    1   1.00
                  0.41068707243D-01      1.0000000
            F    1   1.00
                  0.244000000            1.0000000
            ****
            -Si     0
            S    7   1.00
              44773.3580780              0.55914765868D-03
               6717.1992104              0.43206040189D-02
               1528.8960325              0.22187096460D-01
                432.54746585             0.86489249116D-01
                140.61505226             0.24939889716
                 49.857636724            0.46017197366
                 18.434974885            0.34250236575
            S    3   1.00
                 86.533886111            0.21300063007D-01
                 26.624606846            0.94676139318D-01
                  4.4953057159          -0.32616264859
            S    2   1.00
                  2.1035045710           1.3980803850
                  1.0106094922           0.63865786699
            S    1   1.00
                  0.23701751489          1.0000000
            S    1   1.00
                  0.85703405362D-01      1.0000000
            S    1   1.00
                  0.37000771280D-01      1.0000000
            P    5   1.00
                394.47503628             0.26285693959D-02
                 93.137683104            0.20556257749D-01
                 29.519608742            0.92070262801D-01
                 10.781663791            0.25565889739
                  4.1626574778           0.42111707185
            P    1   1.00
                  1.6247972989            .34401746318
            P    1   1.00
                  0.54306660493          1.0000000
            P    1   1.00
                  0.20582073956          1.0000000
            P    1   1.00
                  0.70053487306D-01      1.0000000
            D    2   1.00
                  2.30300000             0.20000000
                  0.476000000            1.00000000
            D    1   1.00
                  0.160000000            1.0000000
            D    1   1.00
                  0.55036090333D-01      1.0000000
            F    1   1.00
                  0.336000000            1.0000000
            ****
            -P     0
            S    7   1.00
              52426.9992330              0.55207164100D-03
               7863.2660552              0.42678595308D-02
               1789.5227333              0.21931529186D-01
                506.27300165             0.85667168373D-01
                164.60698546             0.24840686605
                 58.391918722            0.46336753971
                 21.643663201            0.35350558156
            S    3   1.00
                 99.013837620            0.21895679958D-01
                 30.550439817            0.95650470295D-01
                  5.4537087661          -0.29454270186
            S    2   1.00
                  2.6503362563           1.3294381200
                  1.2726688867           0.66109396473
            S    1   1.00
                  0.31645005203          1.0000000
            S    1   1.00
                  0.11417466938          1.0000000
            S    1   1.00
                  0.48831315225D-01      1.0000000
            P    5   1.00
                472.27219248             0.25710623052D-02
                111.58882756             0.20250297999D-01
                 35.445936418            0.91580716787D-01
                 12.990776875            0.25749454014
                  5.0486221658           0.42862899758
            P    1   1.00
                  1.9934049566            .34359817849
            P    1   1.00
                  0.66527284430          1.0000000
            P    1   1.00
                  0.25516832128          1.0000000
            P    1   1.00
                  0.90357762251D-01      1.0000000
            D    2   1.00
                  3.12000000             0.20000000
                  0.648000000            1.00000000
            D    1   1.00
                  0.218000000            1.0000000
            D    1   1.00
                  0.73569545334D-01      1.0000000
            F    1   1.00
                  0.452000000            1.0000000
            ****
            -S     0
            S    7   1.00
              60700.9281040              0.54695944225D-03
               9102.6106854              0.42297224557D-02
               2071.4166009              0.21747824159D-01
                586.02476821             0.85100053589D-01
                190.55395021             0.24799128459
                 67.630384260            0.46703640406
                 25.127306905            0.36434587550
            S    3   1.00
                112.57463010             0.21670040240D-01
                 34.795554217            0.93602301760D-01
                  6.5115556215          -0.26068001422
            S    2   1.00
                  3.2399032261           1.2842089435
                  1.5477160881           0.66036416584
            S    1   1.00
                  0.40541030112          1.0000000
            S    1   1.00
                  0.14550651059          1.0000000
            S    1   1.00
                  0.50178839540D-01      1.0000000
            P    5   1.00
                564.36716027             0.24796796317D-02
                133.42624379             0.19677930250D-01
                 42.468271189            0.89980008258D-01
                 15.616527580            0.25705880575
                  6.1093988469           0.43515167292
            P    1   1.00
                  2.4404160198            .34883240595
            P    1   1.00
                  0.83882201296          1.0000000
            P    1   1.00
                  0.31288746900          1.0000000
            P    1   1.00
                  0.10770109004          1.0000000
            P    1   1.00
                  0.30359833649D-01      1.0000000
            D    2   1.00
                  3.75600000             0.20000000
                  0.812000000            1.00000000
            D    1   1.00
                  0.273000000            1.0000000
            D    1   1.00
                  0.81547024970D-01      1.0000000
            F    1   1.00
                  0.557000000            1.0000000
            ****
            -Cl     0
            S    7   1.00
              69507.9909450              0.54314897497D-03
              10426.1568800              0.41990463961D-02
               2373.2334061              0.21592141679D-01
                671.56420071             0.84598850094D-01
                218.41999790             0.24757249724
                 77.572249714            0.47016930228
                 28.888815277            0.37436370716
            S    3   1.00
                127.10527185             0.25182166603D-01
                 39.339582961            0.10786112456
                  7.6740679989          -0.27408821574
            S    2   1.00
                  3.8745627630           1.3213875014
                  1.8385832573           0.68636955368
            S    1   1.00
                  0.50229057542          1.0000000
            S    1   1.00
                  0.17962723420          1.0000000
            S    1   1.00
                  0.61133095854D-01      1.0000000
            P    5   1.00
                666.50423284             0.23632663836D-02
                157.64241690             0.18879300374D-01
                 50.262520978            0.87206341273D-01
                 18.536078105            0.25285612970
                  7.2940532777           0.43507154820
            P    1   1.00
                  2.9433248995            .35026513165
            P    1   1.00
                  1.0404970818           1.0000000
            P    1   1.00
                  0.38456415080          1.0000000
            P    1   1.00
                  0.13069642732          1.0000000
            P    1   1.00
                  0.35381580722D-01      1.0000000
            D    2   1.00
                  4.61000000             0.20000000
                  1.01100000             1.00000000
            D    1   1.00
                  0.339000000            1.0000000
            D    1   1.00
                  0.99601358790D-01      1.0000000
            F    1   1.00
                  0.706000000            1.0000000
            ****
            -Ar     0
            S    7   1.00
              79111.4229980              0.51029325002D-03
              11864.7460090              0.39463036981D-02
               2700.1642973              0.20307073910D-01
                763.95943485             0.79691825214D-01
                248.45150561             0.23420623836
                 88.283581000            0.44833849481
                 32.948607069            0.36408167400
            S    3   1.00
                142.55358000             0.26387407001D-01
                 44.163688009            0.11226433999
                  8.9524995000          -0.26178922001
            S    2   1.00
                  4.5546920941           1.3002484998
                  2.1444079001           0.67197237009
            S    1   1.00
                  0.60708777004          1.0000000
            S    1   1.00
                  0.21651431999          1.0000000
            S    1   1.00
                  0.73732186754D-01      1.0000000
            P    5   1.00
                776.77541998             0.22028005003D-02
                183.80107018             0.17694180008D-01
                 58.694003175            0.82431293717D-01
                 21.701591695            0.24207278863
                  8.5821489635           0.42263558251
            P    1   1.00
                  3.4922679161            .34151806086
            P    1   1.00
                  1.2637426998           1.0000000
            P    1   1.00
                  0.46607870005          1.0000000
            P    1   1.00
                  0.15766003000          1.0000000
            P    1   1.00
                  0.41779128551D-01      1.0000000
            D    2   1.00
                  5.55100000             0.20000000
                  1.23500000             1.00000000
            D    1   1.00
                  0.412000000            1.0000000
            D    1   1.00
                  0.12039311859          1.0000000
            F    1   1.00
                  0.890000000            1.0000000
            ****
            -K     0
            S    8   1.00
             153976.1832500              0.23662636107D-03
              23082.4976720              0.18342929137D-02
               5253.2344745              0.95310527769D-02
               1486.9550133              0.38638406980D-01
                484.06333726             0.12480768502
                173.56653980             0.29278861009
                 67.116381464            0.40633425860
                 26.339502054            0.20077215860
            S    4   1.00
                172.87693567            -0.24200960936D-01
                 53.058649063           -0.11553095040
                  7.9212753964           0.57455545175
                  3.2108880472           0.57023185107
            S    2   1.00
                  4.5662070895          -0.22615763466
                  0.70209907282          0.75528392045
            S    1   1.00
                  0.28258942635          1.0000000
            S    1   1.00
                  0.35805824617D-01      1.0000000
            S    1   1.00
                  0.15819213245D-01      1.0000000
            P    6   1.00
                728.18449873             0.26150689792D-02
                172.13265061             0.20673630835D-01
                 54.829847075            0.93205603870D-01
                 20.166266494            0.25436518210
                  7.8610728806           0.39131132810
                  3.1105213132           0.22481345943
            P    3   1.00
                 11.757337492           -0.25777289217D-01
                  1.5139617411           0.57359428604
                  0.58328591795          1.0798320002
            P    1   1.00
                  0.21570478076          1.0000000
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.15208000000D-01      1.0000000
            D    1   1.00
                  0.9300000              1.0000000
            D    1   1.00
                  0.1800000              1.0000000
            D    1   1.00
                  0.0540000              1.0000000
            ****
            -Ca     0
            S    8   1.00
             172517.3268500              0.23317502546D-03
              25861.5192750              0.18076521980D-02
               5885.6618668              0.93943844255D-02
               1665.9730031              0.38108409009D-01
                542.36718148             0.12331203853
                194.57803492             0.29004470954
                 75.303597636            0.40587151157
                 29.574062589            0.20398410743
            S    4   1.00
                191.20074660            -0.24419759759D-01
                 58.840299883           -0.11547027448
                  8.9642540845           0.56356636717
                  3.6856960541           0.56709682704
            S    2   1.00
                  5.2464289726          -0.22825334325
                  0.84862621528          0.72625219172
            S    1   1.00
                  0.36743300538          1.0000000
            S    1   1.00
                  0.66821582613D-01      1.0000000
            S    1   1.00
                  0.26759730445D-01      1.0000000
            P    6   1.00
                836.97262058             0.25258346092D-02
                197.93040142             0.20076506686D-01
                 63.135558054            0.91302987366D-01
                 23.282687170            0.25247029915
                  9.1176444932           0.39426326344
                  3.6336120139           0.23011559492
            P    3   1.00
                 13.494163120           -0.26495021951D-01
                  1.8139259790           0.55088108210
                  0.71981826006          1.0280616620
            P    1   1.00
                  0.27629576992          1.0000000
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.0269270              1.0000000
            D    2   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
            D    1   1.00
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    8   1.00
             191612.9187400              0.23076475942D-03
              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
                602.38855156             0.12227148359
                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
                211.34393234            -0.24527991462D-01
                 65.128920139           -0.11570158142
                 10.034311535            0.55995283317
                  4.1596884597           0.56087765073
            S    2   1.00
                  6.0009041613          -0.22840494325
                  0.98255784150          0.71948970378
            S    1   1.00
                  0.42483192773          1.0000000
            S    1   1.00
                  0.77185462096D-01      1.0000000
            S    1   1.00
                  0.30147219702D-01      1.0000000
            P    6   1.00
                947.34122823             0.24737208744D-02
                224.09699732             0.19742967060D-01
                 71.560334882            0.90357147549D-01
                 26.444824490            0.25201602503
                 10.393798285            0.39675535929
                  4.1606304559           0.23208624517
            P    3   1.00
                 15.565737135           -0.27129423974D-01
                  2.1121544865           0.55109256629
                  0.84184709021          1.0090635806
            P    1   1.00
                  0.32297542652          1.0000000
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.22452578888D-01      1.0000000
            D    4   1.00
                 30.989390993            0.11902837431D-01
                  8.6905465069           0.67655856850D-01
                  2.9520256337           0.21332539722
                  1.0761910745           0.38391075578
            D    1   1.00
                  0.38338915095           .43354716259
            D    1   1.00
                  0.12534686113           .24509263822
            D    1   1.00
                  0.0410000              1.0000000
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
               2042.9394247              0.38156853618D-01
                665.12896208             0.12374757197
                238.74942264             0.29208551143
                 92.508691001            0.41226800855
                 36.403919209            0.21090534061
            S    4   1.00
                232.72624607            -0.24920140738D-01
                 71.791209711           -0.11746490087
                 11.158534615            0.56503342318
                  4.6548135416           0.56211101812
            S    2   1.00
                  6.8034629174          -0.23011425503
                  1.1201076403           0.72103186735
            S    1   1.00
                  0.48080118839          1.0000000
            S    1   1.00
                  0.85157274977D-01      1.0000000
            S    1   1.00
                  0.32657477046D-01      1.0000000
            P    6   1.00
               1063.1474732              0.24690839320D-02
                251.56507061             0.19773345523D-01
                 80.408554854            0.90987976672D-01
                 29.768193269            0.25559900413
                 11.736830556            0.40489386764
                  4.7142375230           0.23693402558
            P    3   1.00
                 17.796803704           -0.27878639615D-01
                  2.4272698680           0.55672914668
                  0.96823445537          1.0055447350
            P    1   1.00
                  0.37056694165          1.0000000
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.22796494396D-01      1.0000000
            D    4   1.00
                 37.713384723            0.11513835092D-01
                 10.692931184            0.67246343996D-01
                  3.6728446990           0.21484207775
                  1.3588590303           0.38890892779
            D    1   1.00
                  0.49213295253           .43040835243
            D    1   1.00
                  0.16330520653           .23253305465
            D    1   1.00
                  0.0540000              1.0000000
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    8   1.00
             232340.6505800              0.23072410092D-03
              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
               2243.7733046              0.37761463347D-01
                730.59322944             0.12255909662
                262.32219631             0.28963508811
                101.70403805             0.41004702955
                 40.064784617            0.21113610858
            S    4   1.00
                255.24014968            -0.24458116338D-01
                 78.804646961           -0.11527205366
                 12.340598946            0.55174749453
                  5.1742019219           0.54504528489
            S    2   1.00
                  7.6513894469          -0.22967638286
                  1.2639759898           0.71683769077
            S    1   1.00
                  0.53861761721          1.0000000
            S    1   1.00
                  0.92719296124D-01      1.0000000
            S    1   1.00
                  0.34998055176D-01      1.0000000
            P    6   1.00
               1184.2369151              0.24449826729D-02
                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
                  5.2948534140           0.23860378268
            P    3   1.00
                 20.175586851           -0.28241489023D-01
                  2.7605865197           0.55574635619
                  1.1008900902           0.99319919270
            P    1   1.00
                  0.42013310739          1.0000000
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.25995909929D-01      1.0000000
            D    4   1.00
                 43.861134864            0.11487174238D-01
                 12.516021891            0.68247153977D-01
                  4.3313854957           0.21837784195
                  1.6138855773           0.39245212296
            D    1   1.00
                  0.58749573961           .42634466786
            D    1   1.00
                  0.19515723011           .22646562601
            D    1   1.00
                  0.0650000              1.0000000
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    8   1.00
             254477.8070400              0.23386945693D-03
              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
               2455.0099848              0.38343639367D-01
                799.16217787             0.12459194837
                286.90021489             0.29489696029
                111.25413232             0.41846149607
                 43.864152636            0.21633763420
            S    4   1.00
                279.32669173            -0.23450908111D-01
                 86.274732376           -0.11080370027
                 13.555756113            0.53028965842
                  5.6978112751           0.51603516947
            S    2   1.00
                  8.5636582615          -0.38109545675
                  1.3988296768           1.1991591436
            S    1   1.00
                  0.57288171116          1.0000000
            S    1   1.00
                  0.90096171317D-01      1.0000000
            S    1   1.00
                  0.34125885135D-01      1.0000000
            P    6   1.00
               1306.4398864              0.24277326185D-02
                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
                 14.566657077            0.40935504891
                  5.8739937432           0.23729388849
            P    3   1.00
                 22.890999695           -0.28166026613D-01
                  3.0855001822           0.56034120148
                  1.2132329118           0.98119019650
            P    1   1.00
                  0.44931680699          1.0000000
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.25923467275D-01      1.0000000
            D    4   1.00
                 43.720074476            0.13622964026D-01
                 12.391242652            0.78935180133D-01
                  4.2639442006           0.23833840000
                  1.5525221790           0.39526851122
            D    1   1.00
                  0.53761929485           .41061717056
            D    1   1.00
                  0.16493173074           .24440410795
            D    1   1.00
                  0.0510000              1.0000000
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    8   1.00
             277185.0015300              0.22838385133D-03
              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
               2676.5206482              0.37415971825D-01
                871.46687530             0.12164861426
                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
                303.66723163            -0.24589926140D-01
                 93.881403187           -0.11602608038
                 14.879421214            0.55112059677
                  6.2865200745           0.53707560756
            S    2   1.00
                  9.4858591337          -0.22889262695
                  1.5698706158           0.71196169587
            S    1   1.00
                  0.65903213608          1.0000000
            S    1   1.00
                  0.10686292371          1.0000000
            S    1   1.00
                  0.39267435433D-01      1.0000000
            P    6   1.00
               1444.7978182              0.23994136455D-02
                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
                 40.747988173            0.25745467851
                 16.188626566            0.41272351958
                  6.5484505964           0.24087700007
            P    3   1.00
                 25.357086437           -0.28707174058D-01
                  3.4830168782           0.55208100712
                  1.3858800906           0.97226901379
            P    1   1.00
                  0.52555094893          1.0000000
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.30240117841D-01      1.0000000
            D    4   1.00
                 56.563189119            0.11543245294532D-01
                 16.278734711            0.70299845987196D-01
                  5.6964273914           0.22450770821295
                  2.1411147942           0.39703065434226
            D    1   1.00
                  0.78291801938           .41941039165375
            D    1   1.00
                  0.25952311214           .21887261672743
            D    1   1.00
                  0.0860000              1.0000000
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    8   1.00
             300784.8463700              0.22806273096D-03
              45088.9705570              0.17681788761D-02
              10262.5163170              0.91927083490D-02
               2905.2897293              0.37355495807D-01
                946.11487137             0.12151108426
                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
            S    4   1.00
                329.48839267            -0.24745216477D-01
                101.92332739            -0.11683089050
                 16.240462745            0.55293621136
                  6.8840675801           0.53601640182
            S    2   1.00
                 10.470693782           -0.22912708577
                  1.7360039648           0.71159319984
            S    1   1.00
                  0.72577288979          1.0000000
            S    1   1.00
                  0.11595528203          1.0000000
            S    1   1.00
                  0.41968227746D-01      1.0000000
            P    6   1.00
               1585.3959970              0.23793960179D-02
                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
                 17.829278584            0.41492649744
                  7.2247153786           0.24207474784
            P    3   1.00
                 28.143219756           -0.29041755152D-01
                  3.8743241412           0.55312260343
                  1.5410752281           0.96771136842
            P    1   1.00
                  0.58285615250          1.0000000
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.32659193959D-01      1.0000000
            D    4   1.00
                 61.996675034            0.11971972255D-01
                 17.873732552            0.73210135410D-01
                  6.2744782934           0.23103094314
                  2.3552337175           0.39910706494
            D    1   1.00
                  0.85432239901           .41391589765
            D    1   1.00
                  0.27869254413           .21909269782
            D    1   1.00
                  0.0910000              1.0000000
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    8   1.00
             325817.0155300              0.22568462484D-03
              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
               3146.1603642              0.36996256837D-01
               1024.4378465              0.12044269621
                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
                356.40298318            -0.24767059678D-01
                110.31165215            -0.11702139134
                 17.659634834            0.55215522200
                  7.5059030479           0.53246877060
            S    2   1.00
                 11.501807176           -0.22942470077
                  1.9081994606           0.71180933514
            S    1   1.00
                  0.79396696891          1.0000000
            S    1   1.00
                  0.12444448829          1.0000000
            S    1   1.00
                  0.44444645379D-01      1.0000000
            P    6   1.00
               1731.1369144              0.23905767685D-02
                409.91750438             0.19382999967D-01
                131.45648578             0.90905448509D-01
                 48.987439714            0.26146681577
                 19.537078992            0.42157264570
                  7.9287281634           0.24571813557
            P    3   1.00
                 31.076017584           -0.29438069973D-01
                  4.2835180697           0.55615568168
                  1.7022921563           0.96772195064
            P    1   1.00
                  0.64202908602          1.0000000
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.34811056587D-01      1.0000000
            D    4   1.00
                 68.140745239            0.11983845360D-01
                 19.685241019            0.73688540475D-01
                  6.9322128825           0.23085496779
                  2.6025125694           0.39281059225
            D    1   1.00
                  0.94016837302           .40203412228
            D    1   1.00
                  0.30381457794           .21415606743
            D    1   1.00
                  0.0980000              1.0000000
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
            ****
            -Sr     0
            S    2   1.00
                 10.000000000           -0.18530550262
                  8.5000000000           0.33970355376
            S    1   1.00
                  3.0057048856           1.0000000
            S    1   1.00
                  0.61161287650          1.0000000
            S    1   1.00
                  0.27393841217          1.0000000
            S    1   1.00
                  0.57435564563D-01      1.0000000
            S    1   1.00
                  0.23338198665D-01      1.0000000
            P    4   1.00
                  7.5883077869           0.33731690287D-01
                  3.6731307392          -0.20523185005
                  0.90496618455          0.49209972665
                  0.43310256408          0.62105296512
            P    1   1.00
                  0.20222168964          1.0000000
            P    1   1.00
                  0.72000000000D-01      1.0000000
            P    1   1.00
                  0.25000000000D-01      1.0000000
            D    3   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
            D    1   1.00
                  0.12277000000          1.0000000
            D    1   1.00
                  0.36655000000D-01      1.0000000
            ****
            -Y     0
            S    2   1.00
                 10.000000000           -0.17487686796
                  8.5000000000           0.34152345084
            S    1   1.00
                  3.3653905454           1.0000000
            S    1   1.00
                  0.68860679385          1.0000000
            S    1   1.00
                  0.31191502936          1.0000000
            S    1   1.00
                  0.70326042567D-01      1.0000000
            S    1   1.00
                  0.27733859327D-01      1.0000000
            P    4   1.00
                  8.0554093616           0.36410978939D-01
                  4.0163458751          -0.20872572547
                  1.0232915404           0.48956929335
                  0.49843561636          0.60611943833
            P    1   1.00
                  0.23307661842          1.0000000
            P    1   1.00
                  0.80000000000D-01      1.0000000
            P    1   1.00
                  0.27000000000D-01      1.0000000
            D    3   1.00
                  3.9030833060          -0.98209792625D-02
                  1.1363234302           0.19183629664
                  0.45617043877          0.40597788539
            D    1   1.00
                  0.17470950748          1.0000000
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    2   1.00
                 11.000000000           -0.19075595257
                  9.5000000000           0.33895588754
            S    1   1.00
                  3.6383667759           1.0000000
            S    1   1.00
                  0.76822026698          1.0000000
            S    1   1.00
                  0.34036824036          1.0000000
            S    1   1.00
                  0.75261298085D-01      1.0000000
            S    1   1.00
                  0.30131404705D-01      1.0000000
            P    4   1.00
                  8.6066305543           0.40404260236D-01
                  4.4400979958          -0.21187745201
                  1.1281026946           0.49164266891
                  0.54346076310          0.57303370658
            P    1   1.00
                  0.25022406048          1.0000000
            P    1   1.00
                  0.85000000000D-01      1.0000000
            P    1   1.00
                  0.29000000000D-01      1.0000000
            D    3   1.00
                  4.5567957795          -0.96190569023D-02
                  1.2904939797           0.20569990155
                  0.51646987222          0.41831381851
            D    1   1.00
                  0.19349797794          1.0000000
            D    1   1.00
                  0.67309809967D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    2   1.00
                 12.000000000           -0.20219507530
                 10.500000000            0.33640105939
            S    1   1.00
                  3.9276062854           1.0000000
            S    1   1.00
                  0.85976543258          1.0000000
            S    1   1.00
                  0.39074087505          1.0000000
            S    1   1.00
                  0.86387259879D-01      1.0000000
            S    1   1.00
                  0.32906200326D-01      1.0000000
            P    4   1.00
                  9.2056285646           0.43347689874D-01
                  4.8679632125          -0.21302479233
                  1.2442155792           0.48102127136
                  0.60390590312          0.53917858960
            P    1   1.00
                  0.27967675553          1.0000000
            P    1   1.00
                  0.90000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    3   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
            D    1   1.00
                  0.27140946867          1.0000000
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    2   1.00
                 14.000000000           -0.22490043406
                 12.500000000            0.33151248555
            S    1   1.00
                  4.0921501803           1.0000000
            S    1   1.00
                  0.97053602586          1.0000000
            S    1   1.00
                  0.44217620170          1.0000000
            S    1   1.00
                  0.92915024334D-01      1.0000000
            S    1   1.00
                  0.35016314389D-01      1.0000000
            P    4   1.00
                  8.8931117915           0.69994449475D-01
                  5.4689112270          -0.23547141883
                  1.3548473007           0.46315460007
                  0.65494867461          0.48820184710
            P    1   1.00
                  0.30428197472          1.0000000
            P    1   1.00
                  0.10000000000          1.0000000
            P    1   1.00
                  0.33000000000D-01      1.0000000
            D    3   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
            D    1   1.00
                  0.31530878939          1.0000000
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    2   1.00
                 15.000000000           -0.19945408941
                 12.910581694            0.33689922245
            S    1   1.00
                  4.4493321158           1.0000000
            S    1   1.00
                  1.0548409451           1.0000000
            S    1   1.00
                  0.47909677246          1.0000000
            S    1   1.00
                  0.99124162989D-01      1.0000000
            S    1   1.00
                  0.36882799789D-01      1.0000000
            P    4   1.00
                 10.027138011            0.61481602710D-01
                  5.8463419741          -0.23600729385
                  1.4968345491           0.47746483995
                  0.72934632066          0.50731543496
            P    1   1.00
                  0.33913558879          1.0000000
            P    1   1.00
                  0.11000000000          1.0000000
            P    1   1.00
                  0.35000000000D-01      1.0000000
            D    3   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
            D    1   1.00
                  0.36427094833          1.0000000
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    2   1.00
                 16.000000000           -0.20634002919
                 13.910581694            0.33550437725
            S    1   1.00
                  4.7967971407           1.0000000
            S    1   1.00
                  1.1555425594           1.0000000
            S    1   1.00
                  0.52455741182          1.0000000
            S    1   1.00
                  0.10734572646          1.0000000
            S    1   1.00
                  0.39432760192D-01      1.0000000
            P    4   1.00
                 11.187208671            0.53225073263D-01
                  6.2477688734          -0.22731662050
                  1.6279472859           0.47869486056
                  0.79326493538          0.50213311567
            P    1   1.00
                  0.36707276865          1.0000000
            P    1   1.00
                  0.11500000000          1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    3   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
            D    1   1.00
                  0.40379445583          1.0000000
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    2   1.00
                 17.000000000           -0.16690803139
                 13.910581694            0.34235001652
            S    1   1.00
                  5.2481265288           1.0000000
            S    1   1.00
                  1.2262575928           1.0000000
            S    1   1.00
                  0.53930216349          1.0000000
            S    1   1.00
                  0.10130730377          1.0000000
            S    1   1.00
                  0.37124139005D-01      1.0000000
            P    4   1.00
                 11.767103631            0.59494859388D-01
                  6.7485133083          -0.23735853477
                  1.7502679834           0.49019334303
                  0.84321166133          0.50623933751
            P    1   1.00
                  0.38295544759          1.0000000
            P    1   1.00
                  0.11500000000          1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                 19.857830136            0.66960778187D-02
                 10.061378139           -0.21981738213D-01
                  2.2619546477           0.37918706236
                  0.97098845035          0.67289976592
            D    1   1.00
                  0.38391195297          1.0000000
            D    1   1.00
                  0.13537026904          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    2   1.00
                 18.000000000           -0.16605388598
                 14.662134308            0.34899955055
            S    1   1.00
                  5.6388709265           1.0000000
            S    1   1.00
                  1.3198953252           1.0000000
            S    1   1.00
                  0.57817908509          1.0000000
            S    1   1.00
                  0.10352166239          1.0000000
            S    1   1.00
                  0.37548442674D-01      1.0000000
            P    4   1.00
                 12.552899300            0.61728998206D-01
                  7.2444496380          -0.24178626753
                  1.8905941078           0.49453200915
                  0.90737168760          0.50454362626
            P    1   1.00
                  0.40877210813          1.0000000
            P    1   1.00
                  0.11500000000          1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                 22.357457575            0.39559479546D-02
                 10.682526382           -0.14039011601D-01
                  2.4858232550           0.24219476776
                  1.0735333903           0.42580283281
            D    1   1.00
                  0.42613842853          1.0000000
            D    1   1.00
                  0.15046355385          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    2   1.00
                 19.000000000           -0.16600104141
                 15.428199933            0.35665095918
            S    1   1.00
                  6.0553507268           1.0000000
            S    1   1.00
                  1.4162368935           1.0000000
            S    1   1.00
                  0.61758635858          1.0000000
            S    1   1.00
                  0.10474197431          1.0000000
            S    1   1.00
                  0.37685106264D-01      1.0000000
            P    4   1.00
                 13.188180180            0.66928737147D-01
                  7.7952789138          -0.24735235409
                  2.0351571912           0.49154280216
                  0.98093914842          0.49741609006
            P    1   1.00
                  0.44451179958          1.0000000
            P    1   1.00
                  0.13000000000          1.0000000
            P    1   1.00
                  0.41200000000D-01      1.0000000
            D    4   1.00
                 25.784397351            0.35645063082D-02
                 11.396636755           -0.12984262784D-01
                  2.7345581361           0.24108826548
                  1.1873583605           0.42412330744
            D    1   1.00
                  0.47316910566          1.0000000
            D    1   1.00
                  0.16746017986          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    2   1.00
                 20.000000000           -0.17401196927
                 16.309051661            0.37137277194
            S    1   1.00
                  6.4512709901           1.0000000
            S    1   1.00
                  1.5350047390           1.0000000
            S    1   1.00
                  0.68983631523          1.0000000
            S    1   1.00
                  0.13475720977          1.0000000
            S    1   1.00
                  0.47416874527D-01      1.0000000
            P    4   1.00
                 14.000681404            0.69333062793D-01
                  8.3094019872          -0.25420103681
                  2.2020058122           0.49200980368
                  1.0779246137           0.49702118131
            P    1   1.00
                  0.50111879846          1.0000000
            P    1   1.00
                  0.16000000000          1.0000000
            P    1   1.00
                  0.51600000000D-01      1.0000000
            D    4   1.00
                 30.380789793            0.32545123835D-02
                 11.474551578           -0.14212074843D-01
                  3.0507394903           0.24961756436
                  1.3622028524           0.44905635176
            D    1   1.00
                  0.56399409888          1.0000000
            D    1   1.00
                  0.20916686535          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    4   1.00
                847.79276774             0.12432052471D-03
                 72.041054824            0.23600367607D-02
                 41.061316522           -0.85588299453D-02
                 12.407609713            0.62952032489
            S    2   1.00
                 11.640316941            1.5543429200
                  6.3695642727           0.67492488361
            S    1   1.00
                  1.7063236353           1.0000000
            S    1   1.00
                  0.78666967936          1.0000000
            S    1   1.00
                  0.16965196873          1.0000000
            S    1   1.00
                  0.62074858667D-01      1.0000000
            S    1   1.00
                  0.21521728159D-01      1.0000000
            P    3   1.00
                268.28136685             0.11542193636D-03
                 14.781553782            0.77779830292D-01
                  8.8041476194          -0.28332389472
            P    3   1.00
                  2.3717277227           0.47896111744
                  1.1927065422           0.48293819961
                  0.58352812041          0.16843883728
            P    1   1.00
                  0.23280968310          1.0000000
            P    1   1.00
                  0.88674065208D-01      1.0000000
            P    1   1.00
                  0.33598828267D-01      1.0000000
            D    6   1.00
                 94.282575063            0.43652729696D-03
                 19.716431102            0.63918753088
                 19.600106824           -0.64663115577
                  3.5643186737           0.21187579614
                  1.7017801400           0.42129321741
                  0.76456615531          0.38418127707
            D    1   1.00
                  0.31826765584          1.0000000
            D    1   1.00
                  0.10000000000          1.0000000
            D    1   1.00
                  0.32239251448D-01      1.0000000
            F    1   1.00
                  0.9000000              1.0000000
            F    1   1.00
                  0.26415991             1.0000000
            ****
            -Sn     0
            S    4   1.00
               1577.0715931              0.17042767713D-03
                235.26601078             0.81467057272D-03
                 38.206330645           -0.39057904293D-02
                 13.097031765            0.53245922343
            S    2   1.00
                 11.681492759            1.5435287275
                  5.9647604361           0.76421510041
            S    1   1.00
                  1.8891070740           1.0000000
            S    1   1.00
                  0.88514080630          1.0000000
            S    1   1.00
                  0.20500105152          1.0000000
            S    1   1.00
                  0.76748551032D-01      1.0000000
            S    1   1.00
                  0.29138072540D-01      1.0000000
            P    3   1.00
                221.55767496             0.31125177983D-03
                 21.084021433            0.31108097016D-01
                  8.7600138521          -0.27571560918
            P    3   1.00
                  2.5912909722           0.45912328666
                  1.3426801157           0.49682867217
                  0.67732735829          0.18962377821
            P    1   1.00
                  0.29418756752          1.0000000
            P    1   1.00
                  0.11863762052          1.0000000
            P    1   1.00
                  0.46215750632D-01      1.0000000
            D    6   1.00
                108.33210154             0.46561853277D-03
                 23.703936630            0.54063163067D-01
                 22.339843906           -0.58928768877D-01
                  4.0874834028           0.19588500896
                  1.9737354146           0.42301799185
                  0.90158257692          0.39252716176
            D    1   1.00
                  0.38237153649          1.0000000
            D    1   1.00
                  0.12000000000          1.0000000
            D    1   1.00
                  0.42090514124D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2939284850           1.0000000
            ****
            -Sb     0
            S    4   1.00
               1612.4199933              0.28540380783D-03
                238.84452097             0.13393778746D-02
                 23.998118809           -0.49388154574D-01
                 15.193124213            0.43392227254
            S    2   1.00
                 11.736409733            0.92125519965
                  6.5259774794           0.79235280226
            S    1   1.00
                  2.0247451872           1.0000000
            S    1   1.00
                  0.97113418587          1.0000000
            S    1   1.00
                  0.24254333998          1.0000000
            S    1   1.00
                  0.92206608177D-01      1.0000000
            S    1   1.00
                  0.36577483213D-01      1.0000000
            P    3   1.00
                215.68393354             0.26051823221D-03
                 16.374479088            0.73728000195D-01
                  9.7216283345          -0.27230028128
            P    3   1.00
                  2.7982643154           0.46472692374
                  1.4711045033           0.50364242075
                  0.75165385301          0.18706666294
            P    1   1.00
                  0.33168699849          1.0000000
            P    1   1.00
                  0.13931606366          1.0000000
            P    1   1.00
                  0.56399307526D-01      1.0000000
            D    6   1.00
                115.90312253             0.53140915051D-03
                 30.474233720            0.59411139166D-02
                 18.228418239           -0.10563706947D-01
                  4.3291456646           0.20348177341
                  2.1294818496           0.42748378928
                  0.99682636692          0.38539560809
            D    1   1.00
                  0.43347239863          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.51699812575D-01      1.0000000
            F    1   1.00
                  1.1000000              1.0000000
            F    1   1.00
                  0.32369706             1.0000000
            ****
            -Te     0
            S    5   1.00
               6213.2001650              0.17392073280D-03
                920.89640017             0.11933589842D-02
                199.28042708             0.36256556777D-02
                 24.774233098           -0.59791033012D-01
                 14.838199169            0.95943203263
            S    2   1.00
                 12.278761954            0.75942429936
                  6.3807845532           0.35331689542
            S    1   1.00
                  2.2228405205           1.0000000
            S    1   1.00
                  1.0776043442           1.0000000
            S    1   1.00
                  0.28136649025          1.0000000
            S    1   1.00
                  0.10781573341          1.0000000
            S    1   1.00
                  0.37606937094D-01      1.0000000
            P    3   1.00
                204.29400852             0.40605406751D-03
                 18.208759358            0.60255451613D-01
                  9.9211024302          -0.27491671277
            P    3   1.00
                  3.1441528685           0.43154849974
                  1.7220884031           0.55403079110
                  0.89098945714          0.24087311227
            P    1   1.00
                  0.39804719568          1.0000000
            P    1   1.00
                  0.16538785242          1.0000000
            P    1   1.00
                  0.65082695586D-01      1.0000000
            P    1   1.00
                  0.20434738696D-01      1.0000000
            D    6   1.00
                121.51055249             0.63490629024D-03
                 32.968794396            0.61811936324D-02
                 19.249862451           -0.88929825218D-02
                  4.7198407254           0.20159884764
                  2.3428061416           0.42976049013
                  1.1135379412           0.38247126751
            D    1   1.00
                  0.49200061510          1.0000000
            D    1   1.00
                  0.16000000000          1.0000000
            D    1   1.00
                  0.55086030619D-01      1.0000000
            F    1   1.00
                  1.8500000              1.0000000
            F    1   1.00
                  0.38255757             1.0000000
            ****
            -I     0
            S    5   1.00
               5899.5791533              0.24188269271D-03
                898.54238765             0.15474041742D-02
                200.37237912             0.42836684457D-02
                 31.418053840           -0.39417936275D-01
                 15.645987838            0.96086691992
            S    2   1.00
                 11.815741857            0.75961524091
                  6.4614458287           0.42495501835
            S    1   1.00
                  2.3838067579           1.0000000
            S    1   1.00
                  1.1712089662           1.0000000
            S    1   1.00
                  0.32115875757          1.0000000
            S    1   1.00
                  0.12387919364          1.0000000
            S    1   1.00
                  0.43491550641D-01      1.0000000
            P    4   1.00
                 12.984316904           -0.49096186164D-01
                  3.6199503008           0.38914432482
                  2.0232273090           0.65610817262
                  1.0367490559           0.31803551647
            P    3   1.00
                197.30030547             0.73951226905D-03
                 20.061411349            0.66168450008D-01
                  9.7631460485          -0.28554662348
            P    1   1.00
                  0.45937816000          1.0000000
            P    1   1.00
                  0.19116532928          1.0000000
            P    1   1.00
                  0.74878813023D-01      1.0000000
            P    1   1.00
                  0.21653491846D-01      1.0000000
            D    6   1.00
                119.12671745             0.82596039573D-03
                 33.404240134            0.68377675770D-02
                 17.805918203           -0.10308158997D-01
                  4.8990510353           0.22670457658
                  2.4516753106           0.44180113937
                  1.1820693432           0.36775472225
            D    1   1.00
                  0.52923110068          1.0000000
            D    1   1.00
                  0.17000000000          1.0000000
            D    1   1.00
                  0.61341708807D-01      1.0000000
            F    1   1.00
                  2.1800000              1.0000000
            F    1   1.00
                  0.44141808             1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.14000000000D-01      1.0000000
            D    1   1.00
                  0.27941471548          0.15040680034
            D    1   1.00
                  0.62419809739D-01      0.36150912942
            D    1   1.00
                  0.15987870156D-01      1.0000000
            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
                  0.41486174100          1.0000000
            S    1   1.00
                  0.19214757016          1.0000000
            S    1   1.00
                  0.48465890337D-01      1.0000000
            S    1   1.00
                  0.20138298948D-01      1.0000000
            P    4   1.00
                  5.5000000000          -0.44586312998
                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
                  0.47903394983          0.68749608021
            P    1   1.00
                  0.19415138747          1.0000000
            P    1   1.00
                  0.34917622027D-01      1.0000000
            P    1   1.00
                  0.16320065666D-01      1.0000000
            D    3   1.00
                  0.96631500000         -0.90893800000
                  0.89382800000          0.94724000000
                  0.27319500000          0.32205700000
            D    1   1.00
                  0.10389100000          1.0000000
            D    1   1.00
                  0.35578000000D-01      1.0000000
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
                  2.1823656045           1.0000000
            S    1   1.00
                  0.48966533785          1.0000000
            S    1   1.00
                  0.23301675348          1.0000000
            S    1   1.00
                  0.55719523051D-01      1.0000000
            S    1   1.00
                  0.22854708808D-01      1.0000000
            P    4   1.00
                  6.0000000000          -0.11397960924D-01
                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
                  0.64342629633          0.45834955229
            P    1   1.00
                  0.33584281962          1.0000000
            P    1   1.00
                  0.16519051916          1.0000000
            P    1   1.00
                  0.354D-01              1.0000000
            P    1   1.00
                  0.20573221543D-01      1.0000000
            D    3   1.00
                  1.2675288018          -0.17569274035
                  0.89395340284          0.25139922933
                  0.33095767339          0.44603267053
            D    1   1.00
                  0.13461377501          1.0000000
            D    1   1.00
                  0.51441629839D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    4   1.00
                 24.000000000            0.19369448644
                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
                  3.8426510824           1.0000000
            S    1   1.00
                  0.93296029049          1.0000000
            S    1   1.00
                  0.42615320942          1.0000000
            S    1   1.00
                  0.93366560195D-01      1.0000000
            S    1   1.00
                  0.35532895141D-01      1.0000000
            P    4   1.00
                 17.000000000           -0.30316491880D-01
                 11.738072097            0.10139279686
                  4.9203967161          -0.28227924657
                  1.1251726138           0.52032008501
            P    1   1.00
                  0.54220114055          1.0000000
            P    1   1.00
                  0.25659447877          1.0000000
            P    1   1.00
                  0.06500000000          1.0000000
            P    1   1.00
                  0.27141733701D-01      1.0000000
            D    3   1.00
                  3.9820623229          -0.42446023944D-01
                  1.3077987772           0.18409232564
                  0.53272310298          0.41484423516
            D    1   1.00
                  0.20564954488          1.0000000
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
                  3.8436180089           1.0000000
            S    1   1.00
                  1.0202266016           1.0000000
            S    1   1.00
                  0.46774781869          1.0000000
            S    1   1.00
                  0.10323186670          1.0000000
            S    1   1.00
                  0.38674461203D-01      1.0000000
            P    4   1.00
                 17.000000000           -0.32577305616D-01
                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
                  1.1937124184           0.51790141155
            P    1   1.00
                  0.57889707053          1.0000000
            P    1   1.00
                  0.27225198801          1.0000000
            P    1   1.00
                  0.06500000000          1.0000000
            P    1   1.00
                  0.27701105074D-01      1.0000000
            D    3   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
            D    1   1.00
                  0.24216276510          1.0000000
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    3   1.00
                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
                  4.8100449717           1.0000000
            S    1   1.00
                  0.98497804263          1.0000000
            S    1   1.00
                  0.44910485344          1.0000000
            S    1   1.00
                  0.11448352920          1.0000000
            S    1   1.00
                  0.41720421956D-01      1.0000000
            P    4   1.00
                 17.000000000           -0.37817768433D-01
                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
                  1.2801454812           0.51560726697
            P    1   1.00
                  0.62856790898          1.0000000
            P    1   1.00
                  0.29380423553          1.0000000
            P    1   1.00
                  0.06500000000          1.0000000
            P    1   1.00
                  0.27938779011D-01      1.0000000
            D    4   1.00
                  7.4064737315           0.86993963018D-01
                  5.9026268603          -0.17667540011
                  1.2984756750           0.55145697030
                  0.57153508541          0.95313596535
            D    1   1.00
                  0.23845526606          1.0000000
            D    1   1.00
                  0.91144267331D-01      1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
                 13.078045684            0.45723641305
            S    1   1.00
                  5.0352712861           1.0000000
            S    1   1.00
                  1.0482706438           1.0000000
            S    1   1.00
                  0.47708773413          1.0000000
            S    1   1.00
                  0.12225857255          1.0000000
            S    1   1.00
                  0.44007400609D-01      1.0000000
            P    4   1.00
                 18.000000000           -0.26890962397D-01
                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
                  1.3506646748           0.51466301434
            P    1   1.00
                  0.66212816808          1.0000000
            P    1   1.00
                  0.31071385193          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            P    1   1.00
                  0.29651190664D-01      1.0000000
            D    4   1.00
                  7.7352877672           0.83901798556D-01
                  6.0949443610          -0.17722258734
                  1.3871105497           0.55238259692
                  0.62324027854          0.91980111239
            D    1   1.00
                  0.26517328547          1.0000000
            D    1   1.00
                  0.10321096849          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
                  5.2402883472           1.0000000
            S    1   1.00
                  1.1306661245           1.0000000
            S    1   1.00
                  0.51689966917          1.0000000
            S    1   1.00
                  0.13222953545          1.0000000
            S    1   1.00
                  0.47220318801D-01      1.0000000
            P    4   1.00
                 15.500000000            0.16016463376
                 14.000000000           -0.23201520402
                  5.5458290420           0.29772587274
                  1.4139502215          -0.54253238176
            P    1   1.00
                  0.68136686765          1.0000000
            P    1   1.00
                  0.30911452647          1.0000000
            P    1   1.00
                  0.52000000000D-01      1.0000000
            P    1   1.00
                  0.20765932045D-01      1.0000000
            D    4   1.00
                  8.2945059487           0.69648222110D-01
                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
                  0.28590805222          1.0000000
            D    1   1.00
                  0.11058012051          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
                  5.3956977802           1.0000000
            S    1   1.00
                  1.2149128721           1.0000000
            S    1   1.00
                  0.55885743756          1.0000000
            S    1   1.00
                  0.14097974313          1.0000000
            S    1   1.00
                  0.50021924989D-01      1.0000000
            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
                  1.5008913108           0.55512982069
            P    1   1.00
                  0.72348035957          1.0000000
            P    1   1.00
                  0.32785980328          1.0000000
            P    1   1.00
                  0.56000000000D-01      1.0000000
            P    1   1.00
                  0.22945585397D-01      1.0000000
            D    4   1.00
                  8.6321692504           0.75000099949D-01
                  6.5898192302          -0.17326965173
                  1.5808379663           0.55065196913
                  0.71827834905          0.85273641436
            D    1   1.00
                  0.30571851998          1.0000000
            D    1   1.00
                  0.11827071879          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
                 14.408318564            0.44361581995
            S    1   1.00
                  5.5335788010           1.0000000
            S    1   1.00
                  1.2986438223           1.0000000
            S    1   1.00
                  0.58759393108          1.0000000
            S    1   1.00
                  0.13845587261          1.0000000
            S    1   1.00
                  0.49204459888D-01      1.0000000
            P    4   1.00
                 15.500000000           -0.15672718629
                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
                  1.5715586385           0.56473525089
            P    1   1.00
                  0.75132510781          1.0000000
            P    1   1.00
                  0.33306466812          1.0000000
            P    1   1.00
                  0.57000000000D-01      1.0000000
            P    1   1.00
                  0.20441532514D-01      1.0000000
            D    4   1.00
                  8.3207937611           0.62945798646D-01
                  7.4207226520          -0.90271847072D-01
                  1.6570410639           0.16812526416
                  0.73943569960          0.25045416970
            D    1   1.00
                  0.30510856008          1.0000000
            D    1   1.00
                  0.11350405268          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    3   1.00
                 30.000000000            0.20749231108
                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
                  1.3874162443           1.0000000
            S    1   1.00
                  0.62923031957          1.0000000
            S    1   1.00
                  0.14027517613          1.0000000
            S    1   1.00
                  0.49379413761D-01      1.0000000
            P    4   1.00
                 15.500000000            0.15001711880
                 14.000000000           -0.23609813183
                  6.4227368205           0.31458896948
                  1.6595601681          -0.57279670446
            P    1   1.00
                  0.79402913993          1.0000000
            P    1   1.00
                  0.35125155397          1.0000000
            P    1   1.00
                  0.11801737494          1.0000000
            P    1   1.00
                  0.45000000000D-01      1.0000000
            D    4   1.00
                  9.5524098656           0.40145559502D-01
                  7.2698886937          -0.93690906606D-01
                  1.7746496789           0.31746282317
                  0.79960541055          0.46795192483
            D    1   1.00
                  0.33252279372          1.0000000
            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
                  5.5180531820           1.0000000
            S    1   1.00
                  1.5099145479           1.0000000
            S    1   1.00
                  0.70683482159          1.0000000
            S    1   1.00
                  0.16266265576          1.0000000
            S    1   1.00
                  0.56960589112D-01      1.0000000
            P    4   1.00
                 17.500000000           -0.86457187331D-01
                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
                  1.8180159920           0.54361285026
            P    1   1.00
                  0.90067981801          1.0000000
            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
                  0.11845702655          1.0000000
            P    1   1.00
                  0.60299307803D-01      1.0000000
            P    1   1.00
                  0.36087619349D-01      1.0000000
            D    4   1.00
                 10.028197701            0.39922353165D-01
                  7.5920661493          -0.94774230522D-01
                  1.9144256118           0.31164157463
                  0.88641552102          0.45567078406
            D    1   1.00
                  0.38154235320          1.0000000
            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
                  0.70878767298D-01      1.0000000
            S    1   1.00
                  0.21250403123D-01      1.0000000
            P    3   1.00
                 15.383852616            0.61717949180
                 14.814929544           -0.72859235151
                  6.7261253658           0.40438195364
            P    3   1.00
                  1.9626182149           0.43157661160
                  1.0331857851           0.39230403853
                  0.53837445996          0.14007406820
            P    1   1.00
                  0.24446611676          1.0000000
            P    1   1.00
                  0.90785377260D-01      1.0000000
            P    1   1.00
                  0.33401321498D-01      1.0000000
            D    6   1.00
                 57.606819928            0.16054811114D-03
                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
                  2.1396230731           0.19496269490
                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
                  0.23842309375          1.0000000
            D    1   1.00
                  0.95000000000D-01      1.0000000
            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
                  0.9500000              1.0000000
            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/02_dimethylenespyropentane_STD/Gau-179788.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    179789.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=02_dimethylenespyropentane_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   331 symmetry adapted basis functions of A   symmetry.
   331 basis functions,   494 primitive gaussians,   373 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0207069312 Hartrees.
 Nuclear repulsion after empirical dispersion term =      262.3669224215 Hartrees.
 Leave Link  301 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   331 RedAO= T EigKep=  1.96D-06  NBF=   331
 NBsUse=   331 1.00D-06 EigRej= -1.00D+00 NBFU=   331
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   372   372   372   372   372 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:03:52 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636859997 LenY=  5636720427
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -271.534402132178    
 DIIS: error= 2.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -271.534402132178     IErMin= 1 ErrMin= 2.19D-03
 ErrMax= 2.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-03 BMatP= 1.46D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.243 Goal=   None    Shift=    0.000
 GapD=    0.243 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.87D-03 MaxDP=3.96D-01              OVMax= 1.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.86D-03    CP:  1.04D+00
 E= -271.535034504786     Delta-E=       -0.000632372608 Rises=F Damp=F
 DIIS: error= 8.00D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -271.535034504786     IErMin= 2 ErrMin= 8.00D-05
 ErrMax= 8.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-07 BMatP= 1.46D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.785D-02 0.101D+01
 Coeff:     -0.785D-02 0.101D+01
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.95D-04 MaxDP=1.19D-02 DE=-6.32D-04 OVMax= 7.01D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.23D-04    CP:  1.04D+00  1.03D+00
 E= -271.535035617415     Delta-E=       -0.000001112629 Rises=F Damp=F
 DIIS: error= 6.70D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -271.535035617415     IErMin= 3 ErrMin= 6.70D-05
 ErrMax= 6.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.91D-07 BMatP= 9.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.425D-02 0.491D+00 0.514D+00
 Coeff:     -0.425D-02 0.491D+00 0.514D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=9.74D-04 DE=-1.11D-06 OVMax= 3.45D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.25D-06    CP:  1.04D+00  1.03D+00  1.03D+00
 E= -271.535036378897     Delta-E=       -0.000000761482 Rises=F Damp=F
 DIIS: error= 2.12D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -271.535036378897     IErMin= 4 ErrMin= 2.12D-05
 ErrMax= 2.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-07 BMatP= 7.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-02 0.101D+00 0.277D+00 0.623D+00
 Coeff:     -0.101D-02 0.101D+00 0.277D+00 0.623D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=4.00D-06 MaxDP=1.98D-04 DE=-7.61D-07 OVMax= 1.72D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.83D-06    CP:  1.04D+00  1.03D+00  1.06D+00  9.26D-01
 E= -271.535036458205     Delta-E=       -0.000000079308 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -271.535036458205     IErMin= 5 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-08 BMatP= 1.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.784D-04-0.200D-01 0.102D+00 0.422D+00 0.496D+00
 Coeff:      0.784D-04-0.200D-01 0.102D+00 0.422D+00 0.496D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.42D-06 MaxDP=4.58D-05 DE=-7.93D-08 OVMax= 7.24D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.45D-07    CP:  1.04D+00  1.03D+00  1.07D+00  9.19D-01  1.12D+00
 E= -271.535036494043     Delta-E=       -0.000000035838 Rises=F Damp=F
 DIIS: error= 1.70D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -271.535036494043     IErMin= 6 ErrMin= 1.70D-06
 ErrMax= 1.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.76D-10 BMatP= 3.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.691D-04-0.135D-01 0.494D-01 0.212D+00 0.273D+00 0.479D+00
 Coeff:      0.691D-04-0.135D-01 0.494D-01 0.212D+00 0.273D+00 0.479D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.70D-07 MaxDP=1.06D-05 DE=-3.58D-08 OVMax= 7.82D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.33D-07    CP:  1.04D+00  1.03D+00  1.07D+00  9.13D-01  1.16D+00
                    CP:  9.85D-01
 E= -271.535036494847     Delta-E=       -0.000000000803 Rises=F Damp=F
 DIIS: error= 1.45D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -271.535036494847     IErMin= 7 ErrMin= 1.45D-07
 ErrMax= 1.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-11 BMatP= 7.76D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-04-0.200D-02 0.552D-02 0.226D-01 0.345D-01 0.136D+00
 Coeff-Com:  0.804D+00
 Coeff:      0.116D-04-0.200D-02 0.552D-02 0.226D-01 0.345D-01 0.136D+00
 Coeff:      0.804D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=6.08D-08 MaxDP=2.24D-06 DE=-8.03D-10 OVMax= 8.12D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.15D-08    CP:  1.04D+00  1.03D+00  1.07D+00  9.15D-01  1.17D+00
                    CP:  1.02D+00  8.48D-01
 E= -271.535036494848     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.52D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -271.535036494848     IErMin= 8 ErrMin= 2.52D-08
 ErrMax= 2.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-13 BMatP= 1.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.709D-06-0.723D-04-0.125D-03-0.770D-03-0.216D-04 0.205D-01
 Coeff-Com:  0.195D+00 0.786D+00
 Coeff:      0.709D-06-0.723D-04-0.125D-03-0.770D-03-0.216D-04 0.205D-01
 Coeff:      0.195D+00 0.786D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=8.92D-09 MaxDP=5.58D-07 DE=-1.02D-12 OVMax= 1.49D-07

 SCF Done:  E(RB3LYP) =  -271.535036495     A.U. after    8 cycles
            NFock=  8  Conv=0.89D-08     -V/T= 2.0055
 KE= 2.700408193564D+02 PE=-1.153484662919D+03 EE= 3.495418846461D+02
 Leave Link  502 at Thu Jul 22 18:04:43 2021, MaxMem=  5637144576 cpu:             406.7 elap:              51.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   331
 NBasis=   331 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    331 NOA=    25 NOB=    25 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.20254294D+03

 Leave Link  801 at Thu Jul 22 18:04:43 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4527 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.28D-13 8.33D-09 XBig12= 1.00D+00 5.42D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.28D-13 8.33D-09 XBig12= 3.22D-01 1.12D-01.
     11 vectors produced by pass  2 Test12= 1.28D-13 8.33D-09 XBig12= 5.59D-02 3.94D-02.
     11 vectors produced by pass  3 Test12= 1.28D-13 8.33D-09 XBig12= 4.23D-03 8.83D-03.
     11 vectors produced by pass  4 Test12= 1.28D-13 8.33D-09 XBig12= 1.25D-04 2.24D-03.
     11 vectors produced by pass  5 Test12= 1.28D-13 8.33D-09 XBig12= 3.13D-06 3.91D-04.
     11 vectors produced by pass  6 Test12= 1.28D-13 8.33D-09 XBig12= 4.89D-08 2.75D-05.
     11 vectors produced by pass  7 Test12= 1.28D-13 8.33D-09 XBig12= 5.95D-10 4.67D-06.
      9 vectors produced by pass  8 Test12= 1.28D-13 8.33D-09 XBig12= 2.93D-12 3.82D-07.
      3 vectors produced by pass  9 Test12= 1.28D-13 8.33D-09 XBig12= 1.76D-14 2.72D-08.
      2 vectors produced by pass 10 Test12= 1.28D-13 8.33D-09 XBig12= 1.10D-14 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.121660D+03
      2 -0.282230D-05  0.836483D+02
      3 -0.449015D+01 -0.197583D-04  0.762644D+02
 Isotropic polarizability for W=    0.085645       93.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.109253D-02 -0.802478D+02 -0.900218D-03
      2  -0.162893D-02  0.293370D+02  0.261631D-03
      3   0.536396D-03  0.509108D+02  0.638587D-03
      4  -0.114580D+03 -0.150056D-02  0.621789D+02
      5  -0.991765D-03  0.637919D+02  0.126983D-02
      6   0.429965D+02 -0.122121D-03  0.412472D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.567664D+01 -0.860341D-04  0.457402D+01
      2   0.352351D-04  0.204544D+02  0.284466D-03
      3   0.365771D+02  0.429680D-03 -0.165370D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.161298D+01 -0.383752D-03  0.467861D+02
      2   0.915464D-04  0.191824D+02  0.733437D-03
      3  -0.343320D+02 -0.128366D-03 -0.207954D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.236195D+01 -0.238260D-04 -0.873101D+01
      2  -0.238260D-04 -0.631122D+01 -0.102903D-03
      3  -0.873101D+01 -0.102903D-03  0.219004D+01
 OR G Eigenvalues:    -6.4554    -6.3112    11.0074  Iso=     0.5864
 Eigenvectors:
   (1)   0.703617   0.000623   0.710579
   (2)  -0.000441   1.000000  -0.000441
   (3)   0.710579   0.000003  -0.703618
 w=    0.085645 a.u., Optical Rotation Beta=      0.5864 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      301.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   54946 ScalPx= 4.50D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   54946 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.73D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.13D-14 2.78D-09 XBig12= 1.00D+00 4.74D-01.
     30 vectors produced by pass  1 Test12= 2.13D-14 2.78D-09 XBig12= 3.85D-02 6.50D-02.
     30 vectors produced by pass  2 Test12= 2.13D-14 2.78D-09 XBig12= 6.67D-04 5.06D-03.
     30 vectors produced by pass  3 Test12= 2.13D-14 2.78D-09 XBig12= 9.33D-06 6.12D-04.
     30 vectors produced by pass  4 Test12= 2.13D-14 2.78D-09 XBig12= 7.66D-08 4.96D-05.
     30 vectors produced by pass  5 Test12= 2.13D-14 2.78D-09 XBig12= 2.73D-10 2.22D-06.
     29 vectors produced by pass  6 Test12= 2.13D-14 2.78D-09 XBig12= 7.33D-13 1.11D-07.
      1 vectors produced by pass  7 Test12= 2.13D-14 2.78D-09 XBig12= 1.80D-15 7.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   54946 ScalPx= 3.84D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   54946 ScalPx= 3.84D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   54946 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121660D+03 -0.282230D-05 -0.449015D+01
      2  -0.282230D-05  0.836483D+02 -0.197583D-04
      3  -0.449015D+01 -0.197583D-04  0.762644D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.567664D+01 -0.860341D-04  0.457402D+01
      2   0.352351D-04  0.204544D+02  0.284466D-03
      3   0.365771D+02  0.429680D-03 -0.165370D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.109253D-02 -0.802478D+02 -0.900218D-03
      2  -0.162893D-02  0.293370D+02  0.261631D-03
      3   0.536396D-03  0.509108D+02  0.638587D-03
      4  -0.114580D+03 -0.150056D-02  0.621789D+02
      5  -0.991765D-03  0.637919D+02  0.126983D-02
      6   0.429965D+02 -0.122121D-03  0.412472D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.115140D+02  0.477106D+01  0.624645D+01 -0.326666D+01 -0.157684D+01
      2   0.477106D+01 -0.261799D+01  0.282653D+00 -0.157684D+01 -0.470620D+01
      3   0.624645D+01  0.282653D+00  0.202833D+01 -0.262066D-02 -0.112733D+00
                 6             7             8             9            10 
      1  -0.262066D-02  0.371644D+01  0.309142D+01  0.238257D+01  0.682222D-03
      2  -0.112733D+00  0.309142D+01  0.196416D+01  0.500943D+00 -0.116726D+02
      3   0.240122D+01  0.238257D+01  0.500943D+00 -0.514742D+01 -0.121290D-03
                11            12            13            14            15 
      1  -0.116726D+02 -0.121290D-03 -0.852637D+01  0.172268D-03 -0.525177D+01
      2   0.638320D-04 -0.141464D+01  0.172268D-03 -0.149279D+01  0.458455D-05
      3  -0.141464D+01  0.386841D-05 -0.525177D+01  0.458455D-05 -0.111812D+01
                16            17            18            19            20 
      1  -0.151448D-03 -0.766882D+01 -0.143256D-03 -0.119093D+02  0.791902D+01
      2  -0.766882D+01 -0.838668D-05 -0.138965D+01  0.791902D+01 -0.607662D+01
      3  -0.143256D-03 -0.138965D+01 -0.104723D-03  0.333052D+01 -0.551678D+00
                21            22            23            24            25 
      1   0.333052D+01  0.155161D+02 -0.518247D+01  0.438226D-01  0.124884D+02
      2  -0.551678D+00 -0.518247D+01  0.693112D+01 -0.168519D+00 -0.520714D+00
      3  -0.352649D+01  0.438226D-01 -0.168519D+00  0.110443D+01 -0.103832D+01
                26            27            28            29            30 
      1  -0.520714D+00 -0.103832D+01  0.597041D+01 -0.432780D+01 -0.733852D+01
      2   0.702543D+00  0.474484D+00 -0.432780D+01  0.492735D+01  0.110250D+01
      3   0.474484D+00  0.265651D+01 -0.733852D+01  0.110250D+01  0.443159D+01
                31            32            33            34            35 
      1  -0.832894D+01  0.847067D+01 -0.128519D+01 -0.128457D+02  0.102710D+00
      2   0.847067D+01 -0.917431D+01  0.250124D+01  0.102710D+00  0.295780D+01
      3  -0.128519D+01  0.250124D+01  0.146780D+01  0.566902D+01  0.909028D+00
                36            37            38            39            40 
      1   0.566902D+01 -0.115142D+02  0.477120D+01 -0.624632D+01 -0.326662D+01
      2   0.909028D+00  0.477120D+01  0.261798D+01  0.282786D+00  0.157675D+01
      3  -0.237425D+01 -0.624632D+01  0.282786D+00 -0.202835D+01 -0.251731D-02
                41            42            43            44            45 
      1   0.157675D+01 -0.251731D-02 -0.371638D+01  0.309156D+01 -0.238255D+01
      2  -0.470626D+01  0.112655D+00  0.309156D+01 -0.196418D+01  0.500594D+00
      3   0.112655D+00  0.240098D+01 -0.238255D+01  0.500594D+00  0.514777D+01
                46            47            48            49            50 
      1   0.119082D+02  0.791894D+01 -0.333038D+01  0.155161D+02  0.518245D+01
      2   0.791894D+01  0.607659D+01 -0.551674D+00  0.518245D+01  0.693129D+01
      3  -0.333038D+01 -0.551674D+00  0.352645D+01  0.438086D-01  0.168472D+00
                51            52            53            54            55 
      1   0.438086D-01 -0.124882D+02 -0.520714D+00  0.103841D+01 -0.596982D+01
      2   0.168472D+00 -0.520714D+00 -0.702587D+00  0.474657D+00 -0.432776D+01
      3   0.110459D+01  0.103841D+01  0.474657D+00 -0.265668D+01  0.733844D+01
                56            57            58            59            60 
      1  -0.432776D+01  0.733844D+01 -0.832883D+01 -0.847061D+01 -0.128509D+01
      2  -0.492737D+01  0.110263D+01 -0.847061D+01 -0.917426D+01 -0.250135D+01
      3   0.110263D+01 -0.443165D+01 -0.128509D+01 -0.250135D+01  0.146761D+01
                61            62            63            64            65 
      1   0.128456D+02  0.102824D+00 -0.566915D+01 -0.985735D+00  0.170433D+01
      2   0.102824D+00 -0.295789D+01  0.908811D+00  0.170433D+01 -0.326811D+01
      3  -0.566915D+01  0.908811D+00  0.237444D+01  0.927221D-01  0.869345D+00
                66            67            68            69            70 
      1   0.927221D-01  0.394566D+01 -0.341817D+01  0.891841D+00  0.183042D+01
      2   0.869345D+00 -0.341817D+01  0.113323D+02 -0.241844D+01 -0.397710D+00
      3  -0.781252D+00  0.891841D+00 -0.241844D+01  0.172033D+01 -0.449088D+00
                71            72            73            74            75 
      1  -0.397710D+00 -0.449088D+00  0.109050D+01 -0.108621D+00 -0.400450D+00
      2   0.802146D+00  0.129983D+01 -0.108621D+00 -0.448427D+00 -0.112708D+00
      3   0.129983D+01 -0.127415D+01 -0.400450D+00 -0.112708D+00  0.118585D+01
                76            77            78            79            80 
      1  -0.681292D+00 -0.563895D+00 -0.226546D-02 -0.207691D+01 -0.317640D+00
      2  -0.563895D+00  0.706483D+00 -0.121792D+01 -0.317640D+00 -0.184728D+01
      3  -0.226546D-02 -0.121792D+01 -0.191069D+01 -0.850982D+00  0.189122D+01
                81            82            83            84            85 
      1  -0.850982D+00  0.985702D+00  0.170431D+01 -0.926962D-01  0.394569D+01
      2   0.189122D+01  0.170431D+01  0.326803D+01  0.869393D+00  0.341814D+01
      3  -0.118641D+02 -0.926962D-01  0.869393D+00  0.781284D+00  0.891901D+00
                86            87            88            89            90 
      1   0.341814D+01  0.891901D+00 -0.183031D+01 -0.397633D+00  0.449100D+00
      2   0.113322D+02  0.241863D+01 -0.397633D+00 -0.801938D+00  0.129984D+01
      3   0.241863D+01  0.172042D+01  0.449100D+00  0.129984D+01  0.127422D+01
                91            92            93            94            95 
      1  -0.109048D+01 -0.108643D+00  0.400428D+00 -0.681321D+00  0.563902D+00
      2  -0.108643D+00  0.448444D+00 -0.112658D+00  0.563902D+00  0.706343D+00
      3   0.400428D+00 -0.112658D+00 -0.118584D+01 -0.227382D-02  0.121792D+01
                96            97            98            99           100 
      1  -0.227382D-02  0.207689D+01 -0.317647D+00  0.850958D+00  0.231262D+01
      2   0.121792D+01 -0.317647D+00  0.184718D+01  0.189093D+01 -0.126239D+01
      3  -0.191097D+01  0.850958D+00  0.189093D+01  0.118640D+02 -0.352430D+00
               101           102           103           104           105 
      1  -0.126239D+01 -0.352430D+00 -0.205140D+01  0.144766D+01  0.166678D+01
      2  -0.372716D+00 -0.705255D+00  0.144766D+01 -0.394716D+01 -0.347381D+01
      3  -0.705255D+00 -0.120694D+01  0.166678D+01 -0.347381D+01 -0.382317D+01
               106           107           108           109           110 
      1  -0.988224D+00  0.159249D+01  0.119618D+01  0.142713D+02 -0.285930D+01
      2   0.159249D+01 -0.448061D+01 -0.381274D+01 -0.285930D+01  0.170665D+01
      3   0.119618D+01 -0.381274D+01 -0.473317D+01  0.159402D+01 -0.177665D+00
               111           112           113           114           115 
      1   0.159402D+01 -0.870270D+00  0.138028D+01  0.131344D+01  0.516949D+01
      2  -0.177665D+00  0.138028D+01 -0.395685D+00 -0.531948D+00  0.283744D+00
      3   0.112040D+01  0.131344D+01 -0.531948D+00 -0.400675D+00  0.158574D+01
               116           117           118           119           120 
      1   0.283744D+00  0.158574D+01 -0.142714D+02 -0.285939D+01 -0.159405D+01
      2  -0.594770D+00 -0.567657D+00 -0.285939D+01 -0.170668D+01 -0.177701D+00
      3  -0.567657D+00  0.553223D+00 -0.159405D+01 -0.177701D+00 -0.112038D+01
               121           122           123           124           125 
      1  -0.870413D+00 -0.138037D+01  0.131342D+01 -0.516953D+01  0.283691D+00
      2  -0.138037D+01 -0.395770D+00  0.531970D+00  0.283691D+00  0.594780D+00
      3   0.131342D+01  0.531970D+00 -0.400680D+00 -0.158570D+01 -0.567639D+00
               126           127           128           129           130 
      1  -0.158570D+01 -0.231257D+01 -0.126238D+01  0.352401D+00 -0.205139D+01
      2  -0.567639D+00 -0.126238D+01  0.372811D+00 -0.705327D+00 -0.144768D+01
      3  -0.553243D+00  0.352401D+00 -0.705327D+00  0.120699D+01  0.166671D+01
               131           132           133           134           135 
      1  -0.144768D+01  0.166671D+01  0.988196D+00  0.159243D+01 -0.119605D+01
      2  -0.394735D+01  0.347385D+01  0.159243D+01  0.448066D+01 -0.381266D+01
      3   0.347385D+01 -0.382309D+01 -0.119605D+01 -0.381266D+01  0.473293D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237013D+01 -0.425412D+01 -0.433457D+01 -0.472596D+00 -0.123265D+02
      2   0.103173D+01 -0.536938D+00  0.240615D+01 -0.545169D+01  0.692457D+01
      3   0.387432D+01  0.436054D+01  0.583597D+01  0.616592D+01  0.295063D+01
                 6             7             8             9            10 
      1  -0.965640D+01 -0.248696D+01  0.907724D+01  0.138736D+02 -0.181637D-03
      2   0.554605D+01 -0.264012D+01 -0.148850D+01 -0.978508D+01  0.848148D+01
      3   0.104330D+01  0.429294D+01 -0.126381D+01 -0.957197D+00  0.524982D-03
                11            12            13            14            15 
      1   0.320964D+00  0.135266D-04 -0.123705D+02  0.190316D-04 -0.250497D+01
      2  -0.955575D-05  0.112390D+02 -0.324509D-04 -0.381055D+01 -0.560858D-04
      3  -0.188523D+02 -0.242387D-04  0.220544D+02  0.769867D-04 -0.116672D+01
                16            17            18            19            20 
      1  -0.162195D-03  0.946069D+00 -0.118558D-05 -0.113752D+01  0.356498D+01
      2  -0.246899D+02 -0.151895D-03  0.224447D+01  0.686554D+00  0.224268D+01
      3   0.000000D+00 -0.470021D+01 -0.130816D-04  0.359132D+00  0.787596D+01
                21            22            23            24            25 
      1  -0.658439D+01  0.379261D+01 -0.888663D+01 -0.173250D+01 -0.106625D+02
      2  -0.577417D+01  0.953422D+00 -0.397930D+01  0.378712D+01 -0.179923D+02
      3  -0.650089D+01  0.230650D+02 -0.194199D+02  0.242180D+01  0.361861D-01
                26            27            28            29            30 
      1   0.521433D+01  0.516159D+01 -0.641407D+01 -0.347358D+01  0.596522D+01
      2   0.264843D+01  0.539826D+01 -0.169972D+02  0.575162D+01  0.116355D+02
      3   0.129227D+01  0.614916D+01  0.115464D+02 -0.147920D+02 -0.120991D+00
                31            32            33            34            35 
      1  -0.266743D+01  0.343606D+01 -0.318877D+01  0.164590D+01  0.445432D+01
      2  -0.380636D+01  0.975710D+01  0.375718D+01  0.137596D+01  0.763034D+01
      3  -0.112076D+02  0.158002D+02 -0.930732D+01  0.847620D+01 -0.867938D+01
                36            37            38            39            40 
      1   0.161472D+01 -0.237016D+01 -0.425432D+01  0.433447D+01 -0.472768D+00
      2  -0.345312D+01  0.103164D+01  0.536720D+00  0.240634D+01  0.545138D+01
      3  -0.903793D+01 -0.387435D+01  0.436085D+01 -0.583581D+01  0.616613D+01
                41            42            43            44            45 
      1   0.123264D+02 -0.965570D+01  0.248685D+01  0.907798D+01 -0.138738D+02
      2   0.692465D+01 -0.554557D+01 -0.263966D+01  0.148930D+01 -0.978561D+01
      3  -0.295055D+01  0.104313D+01 -0.429276D+01 -0.126380D+01  0.956823D+00
                46            47            48            49            50 
      1   0.113784D+01  0.356479D+01  0.658443D+01  0.379250D+01  0.888669D+01
      2   0.686740D+00 -0.224239D+01 -0.577431D+01 -0.953008D+00 -0.397915D+01
      3  -0.359805D+00  0.787548D+01  0.650080D+01  0.230648D+02  0.194197D+02
                51            52            53            54            55 
      1  -0.173220D+01  0.106626D+02  0.521462D+01 -0.516155D+01  0.641398D+01
      2  -0.378751D+01 -0.179927D+02 -0.264889D+01  0.539861D+01 -0.169972D+02
      3   0.242213D+01 -0.362225D-01  0.129270D+01 -0.614894D+01 -0.115462D+02
                56            57            58            59            60 
      1  -0.347334D+01 -0.596536D+01 -0.266728D+01 -0.343613D+01 -0.318885D+01
      2  -0.575215D+01  0.116357D+02  0.380593D+01  0.975716D+01 -0.375676D+01
      3  -0.147921D+02  0.121309D+00 -0.112074D+02 -0.157997D+02 -0.930774D+01
                61            62            63            64            65 
      1  -0.164600D+01  0.445434D+01 -0.161456D+01 -0.188439D+01  0.397725D+01
      2   0.137672D+01 -0.762982D+01 -0.345389D+01 -0.296631D+01  0.115224D+01
      3  -0.847607D+01 -0.867987D+01  0.903764D+01  0.229773D+01 -0.359858D+01
                66            67            68            69            70 
      1  -0.597860D+00  0.274091D+01 -0.127952D+02 -0.152998D+01 -0.732470D-01
      2   0.137392D+01  0.215245D+01 -0.115849D+01 -0.154558D+01  0.824650D-01
      3   0.104868D+01  0.271909D+01  0.920304D+01 -0.237829D+01  0.128087D+01
                71            72            73            74            75 
      1  -0.240755D+01  0.391969D+00  0.180598D+01 -0.337670D+00 -0.123326D+01
      2  -0.219504D+01  0.152478D+01  0.298271D+01 -0.626400D+00 -0.465205D+00
      3   0.231935D+00  0.936424D+00 -0.130291D+01 -0.167094D+01  0.224284D+00
                76            77            78            79            80 
      1   0.962127D-01 -0.118245D+00  0.384744D+01  0.538517D+00  0.226861D+01
      2  -0.977432D+00  0.110978D+01  0.312799D+01 -0.422569D+01 -0.290542D+01
      3  -0.671222D+00  0.748989D-01 -0.172773D+01 -0.358228D+01 -0.205121D+01
                81            82            83            84            85 
      1   0.131755D+02  0.188436D+01  0.397718D+01  0.597966D+00  0.274084D+01
      2   0.141413D+02 -0.296622D+01 -0.115217D+01  0.137390D+01 -0.215245D+01
      3   0.361709D+00 -0.229774D+01 -0.359854D+01 -0.104872D+01  0.271914D+01
                86            87            88            89            90 
      1   0.127953D+02 -0.152971D+01  0.733014D-01 -0.240720D+01 -0.392061D+00
      2  -0.115833D+01  0.154559D+01  0.824480D-01  0.219493D+01  0.152485D+01
      3  -0.920291D+01 -0.237842D+01 -0.128076D+01  0.231806D+00 -0.936426D+00
                91            92            93            94            95 
      1  -0.180598D+01 -0.337725D+00  0.123323D+01  0.961859D-01  0.118054D+00
      2   0.298262D+01  0.626498D+00 -0.465124D+00  0.977547D+00  0.110977D+01
      3   0.130299D+01 -0.167091D+01 -0.224359D+00 -0.671275D+00 -0.747411D-01
                96            97            98            99           100 
      1   0.384782D+01 -0.538473D+00  0.226900D+01 -0.131753D+02  0.118892D+01
      2  -0.312833D+01 -0.422572D+01  0.290504D+01  0.141411D+02 -0.120431D+01
      3  -0.172777D+01  0.358212D+01 -0.205111D+01 -0.361408D+00  0.197839D+01
               101           102           103           104           105 
      1  -0.207662D-01 -0.237131D+01  0.392258D+01 -0.145901D+01 -0.536858D+01
      2  -0.237384D+01 -0.266383D+01  0.974274D+00 -0.825611D+01 -0.950342D+01
      3   0.171388D+01  0.263230D+01 -0.139769D+01  0.946144D+01  0.890461D+01
               106           107           108           109           110 
      1  -0.129882D+01  0.165500D+01 -0.490092D+01  0.329853D+01  0.383601D+00
      2   0.205206D+01 -0.107987D+02 -0.113980D+02  0.111031D+02 -0.303349D+01
      3  -0.195100D+01  0.119396D+02  0.105030D+02 -0.517656D+01 -0.537378D+01
               111           112           113           114           115 
      1   0.119287D+01 -0.103956D+00  0.364850D+00 -0.184774D+00  0.204957D+01
      2   0.693337D+01  0.362943D+01 -0.249241D+01 -0.122028D+01  0.328120D+01
      3  -0.898354D+00  0.710541D+00 -0.473441D+00  0.506185D+00 -0.642493D+01
               116           117           118           119           120 
      1   0.175180D+00 -0.259357D+00 -0.329854D+01  0.383578D+00 -0.119291D+01
      2  -0.724795D+00  0.357072D+01  0.111030D+02  0.303360D+01  0.693332D+01
      3   0.880591D+00  0.158432D+01  0.517656D+01 -0.537377D+01  0.898324D+00
               121           122           123           124           125 
      1  -0.103902D+00 -0.364806D+00 -0.184809D+00 -0.204951D+01  0.175132D+00
      2  -0.362928D+01 -0.249243D+01  0.122035D+01  0.328097D+01  0.724726D+00
      3   0.710336D+00  0.473221D+00  0.506269D+00  0.642481D+01  0.880674D+00
               126           127           128           129           130 
      1   0.259347D+00 -0.118891D+01 -0.208192D-01  0.237144D+01  0.392247D+01
      2   0.357078D+01 -0.120435D+01  0.237402D+01 -0.266393D+01 -0.974179D+00
      3  -0.158430D+01 -0.197845D+01  0.171418D+01 -0.263251D+01 -0.139766D+01
               131           132           133           134           135 
      1   0.145913D+01 -0.536865D+01  0.129890D+01  0.165492D+01  0.490081D+01
      2  -0.825626D+01  0.950323D+01  0.205181D+01  0.107986D+02 -0.113974D+02
      3  -0.946196D+01  0.890477D+01  0.195088D+01  0.119398D+02 -0.105029D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.331125D+01  0.109846D+02  0.662437D+01  0.378116D+01  0.556061D+01
      2  -0.633746D+01 -0.166372D+02 -0.113179D+02 -0.651910D+01 -0.224014D+02
      3   0.964872D+01  0.565260D+01  0.469350D+01  0.273794D+01  0.168408D+02
      4   0.384402D+01 -0.733668D+01  0.223159D+01 -0.255110D+01 -0.239557D+02
      5   0.238371D+02  0.763312D+01  0.130472D+02 -0.843261D+00 -0.451057D+01
      6   0.149984D+02 -0.271606D+01  0.218683D+01 -0.420729D+01 -0.497984D+01
                 6             7             8             9            10 
      1  -0.468139D+01 -0.582807D+01  0.113565D+00  0.200549D+02  0.228520D+02
      2  -0.613591D+01 -0.215894D+01  0.563878D+01  0.134390D+02 -0.201983D+01
      3   0.108173D+02  0.798701D+01 -0.575235D+01 -0.334939D+02 -0.208322D+02
      4  -0.523185D+01  0.927638D+01  0.183319D+01  0.161765D+01 -0.553350D-03
      5   0.155653D+01  0.155631D+02  0.427335D+01 -0.368208D+01 -0.479752D+02
      6   0.369247D+01  0.736167D+01  0.633347D+01  0.472761D+00  0.604842D-03
                11            12            13            14            15 
      1  -0.131787D-03  0.155012D+01 -0.153915D-03  0.131294D+01 -0.341594D-04
      2   0.180898D-03  0.591935D+01  0.232662D-03  0.489241D+01  0.152883D-03
      3  -0.491114D-04 -0.746947D+01 -0.787477D-04 -0.620535D+01 -0.118724D-03
      4   0.189954D+02  0.179729D-03 -0.755158D+01  0.132203D-04  0.278456D+01
      5   0.237218D-03  0.955510D+00  0.304466D-03 -0.105060D+02  0.497804D-04
      6  -0.979168D+01 -0.450881D-04 -0.118652D+02  0.294650D-03 -0.337708D+01
                16            17            18            19            20 
      1   0.128466D+02  0.183847D-05 -0.704834D+01 -0.270940D+02  0.546349D+01
      2  -0.201218D+01  0.327864D-03  0.494027D+00  0.978354D+01  0.899957D+01
      3  -0.108344D+02 -0.329702D-03  0.655431D+01  0.173104D+02 -0.144631D+02
      4   0.273292D-03  0.103375D+01 -0.886732D-05  0.243067D+02 -0.287037D+02
      5  -0.278356D+02 -0.109779D-03 -0.633766D+01  0.369025D+02 -0.903459D+01
      6  -0.173683D-03 -0.772729D+01 -0.232705D-03 -0.596299D+01  0.307337D+01
                21            22            23            24            25 
      1   0.118438D+02  0.230296D+02 -0.130025D+02 -0.383548D+01  0.179490D+02
      2  -0.118229D+02 -0.895558D+01  0.193713D+01  0.791924D+01 -0.666886D+01
      3  -0.208582D-01 -0.140740D+02  0.110654D+02 -0.408376D+01 -0.112801D+02
      4  -0.411643D+01 -0.209316D+02  0.332455D+02 -0.227892D+01 -0.208951D+02
      5  -0.209572D+02 -0.181195D+02  0.470294D+01  0.130452D+02 -0.459439D+01
      6   0.542015D+01  0.728973D+01 -0.332186D+01  0.472556D+01  0.669288D+01
                26            27            28            29            30 
      1  -0.851061D+00 -0.146795D+02 -0.144791D+01 -0.516635D+01 -0.283303D+02
      2  -0.599865D+01  0.329247D+01 -0.162381D+01 -0.350669D+01  0.201441D+02
      3   0.684971D+01  0.113870D+02  0.307172D+01  0.867304D+01  0.818615D+01
      4   0.421668D+01  0.111561D+01 -0.104488D+02  0.259658D+02  0.992551D+01
      5   0.642112D+00  0.946487D+01 -0.484998D+02  0.805432D+01  0.263073D+02
      6   0.719234D+01 -0.471617D+01  0.104285D+02 -0.503564D+01 -0.356577D+01
                31            32            33            34            35 
      1  -0.482952D+01  0.124442D+02  0.989109D+01 -0.473787D+02  0.146458D+02
      2  -0.143349D+02  0.163514D+02 -0.535500D+01  0.335018D+02 -0.126531D+02
      3   0.191644D+02 -0.287956D+02 -0.453609D+01  0.138769D+02 -0.199270D+01
      4   0.468773D+02 -0.438192D+02  0.697096D+01  0.678635D+01  0.918364D+01
      5  -0.174516D+01  0.789497D+01  0.536949D+01  0.373319D+02  0.199480D+00
      6  -0.175214D+01 -0.111368D+02 -0.377476D+01 -0.665145D+01 -0.247156D+01
                36            37            38            39            40 
      1   0.228466D+02 -0.331122D+01 -0.109845D+02  0.662389D+01 -0.378094D+01
      2  -0.201374D+02 -0.633683D+01  0.166376D+02 -0.113174D+02  0.651945D+01
      3  -0.270923D+01  0.964805D+01 -0.565307D+01  0.469353D+01 -0.273851D+01
      4   0.178401D+01 -0.384434D+01 -0.733671D+01 -0.223197D+01 -0.255087D+01
      5  -0.167446D+02  0.238371D+02 -0.763359D+01  0.130469D+02  0.842792D+00
      6  -0.901007D+01 -0.149986D+02 -0.271545D+01 -0.218727D+01 -0.420685D+01
                41            42            43            44            45 
      1   0.556071D+01  0.468063D+01 -0.582839D+01 -0.114388D+00  0.200558D+02
      2  -0.224017D+02  0.613490D+01 -0.215832D+01 -0.564008D+01  0.134392D+02
      3   0.168410D+02 -0.108155D+02  0.798671D+01  0.575447D+01 -0.334950D+02
      4   0.239563D+02 -0.523149D+01 -0.927704D+01  0.183369D+01 -0.161717D+01
      5  -0.451010D+01 -0.155654D+01  0.155630D+02 -0.427293D+01 -0.368279D+01
      6   0.497883D+01  0.369279D+01 -0.736186D+01  0.633306D+01 -0.470931D+00
                46            47            48            49            50 
      1  -0.270928D+02 -0.546354D+01  0.118437D+02 -0.230297D+02 -0.130028D+02
      2   0.978278D+01 -0.899945D+01 -0.118228D+02  0.895521D+01  0.193691D+01
      3   0.173100D+02  0.144630D+02 -0.209712D-01  0.140745D+02  0.110659D+02
      4  -0.243055D+02 -0.287035D+02  0.411656D+01 -0.209322D+02 -0.332460D+02
      5   0.369017D+02  0.903471D+01 -0.209568D+02  0.181194D+02  0.470313D+01
      6   0.596226D+01  0.307296D+01 -0.542027D+01  0.728961D+01  0.332124D+01
                51            52            53            54            55 
      1   0.383621D+01  0.179485D+02  0.851606D+00 -0.146800D+02 -0.144898D+01
      2  -0.791966D+01 -0.666826D+01  0.599830D+01  0.329240D+01 -0.162320D+01
      3   0.408345D+01 -0.112803D+02 -0.684990D+01  0.113876D+02  0.307218D+01
      4  -0.227871D+01  0.208952D+02  0.421652D+01 -0.111613D+01  0.104478D+02
      5  -0.130456D+02 -0.459402D+01 -0.642514D+00  0.946516D+01 -0.484992D+02
      6   0.472537D+01 -0.669271D+01  0.719265D+01  0.471625D+01 -0.104285D+02
                56            57            58            59            60 
      1   0.516594D+01 -0.283298D+02  0.482897D+01  0.124444D+02 -0.989193D+01
      2   0.350683D+01  0.201437D+02  0.143350D+02  0.163509D+02  0.535604D+01
      3  -0.867277D+01  0.818606D+01 -0.191639D+02 -0.287954D+02  0.453589D+01
      4   0.259656D+02 -0.992607D+01  0.468765D+02  0.438189D+02  0.697122D+01
      5  -0.805484D+01  0.263073D+02  0.174455D+01  0.789528D+01 -0.536859D+01
      6  -0.503576D+01  0.356625D+01 -0.175184D+01  0.111376D+02 -0.377466D+01
                61            62            63            64            65 
      1  -0.473783D+02 -0.146467D+02  0.228468D+02  0.424003D+01  0.199059D+01
      2   0.335015D+02  0.126541D+02 -0.201377D+02  0.354336D+01 -0.953730D+01
      3   0.138768D+02  0.199255D+01 -0.270905D+01 -0.778339D+01  0.754671D+01
      4  -0.678712D+01  0.918365D+01 -0.178289D+01 -0.112851D+02  0.185840D+02
      5   0.373325D+02 -0.198393D+00 -0.167456D+02  0.896666D+00 -0.497970D+01
      6   0.665208D+01 -0.247130D+01  0.900944D+01 -0.163759D+01  0.572029D+01
                66            67            68            69            70 
      1  -0.224609D+01  0.186617D+01 -0.231135D+02  0.630491D+01 -0.186095D+01
      2   0.309066D+01 -0.103192D+02  0.444913D+02 -0.619146D+01 -0.409864D-01
      3  -0.844568D+00  0.845300D+01 -0.213778D+02 -0.113448D+00  0.190193D+01
      4  -0.426587D+01  0.175290D+02 -0.372381D+02  0.837336D+01  0.146522D+01
      5   0.442811D+01 -0.514355D+01  0.102213D+02 -0.545822D+01  0.732368D+00
      6  -0.253688D+01  0.775625D+01 -0.187217D+02  0.990880D+01 -0.167655D+01
                71            72            73            74            75 
      1   0.593905D+00 -0.531081D+01 -0.383293D+00  0.425540D+00  0.469544D+01
      2   0.549374D+01  0.102027D+01 -0.193492D+01 -0.841939D+00  0.119080D+01
      3  -0.608765D+01  0.429054D+01  0.231821D+01  0.416398D+00 -0.588624D+01
      4  -0.205229D+01 -0.464963D+01  0.822545D+00  0.370968D+01 -0.192563D+01
      5  -0.415309D+01  0.307956D+01 -0.232897D+00 -0.984292D+00  0.608302D+01
      6   0.574054D+01 -0.316711D+01  0.114903D+01 -0.937138D-01  0.122086D+01
                76            77            78            79            80 
      1   0.245548D+01 -0.462275D+01 -0.438443D+01  0.759006D+00  0.765255D+01
      2  -0.227415D+01  0.312621D+01 -0.680615D+01 -0.233784D+01 -0.277646D+00
      3  -0.181335D+00  0.149654D+01  0.111906D+02  0.157883D+01 -0.737491D+01
      4   0.267483D+01 -0.262192D+01  0.344818D+01  0.174864D+00  0.464949D+01
      5   0.224720D+01  0.317638D+01  0.287676D+01  0.661643D+01 -0.397915D+01
      6   0.181563D+01 -0.145168D+01  0.615235D+01 -0.861865D+00  0.814698D+01
                81            82            83            84            85 
      1  -0.344642D+02  0.423998D+01 -0.199060D+01 -0.224616D+01 -0.186614D+01
      2  -0.236869D+02  0.354326D+01  0.953692D+01  0.309077D+01  0.103187D+02
      3   0.581510D+02 -0.778324D+01 -0.754632D+01 -0.844615D+00 -0.845258D+01
      4  -0.326329D+01  0.112849D+02  0.185836D+02  0.426612D+01  0.175287D+02
      5   0.211981D+02  0.896832D+00  0.497995D+01  0.442829D+01  0.514394D+01
      6  -0.135639D+02  0.163781D+01  0.572060D+01  0.253709D+01  0.775662D+01
                86            87            88            89            90 
      1  -0.231135D+02 -0.630535D+01 -0.186105D+01 -0.594324D+00 -0.531096D+01
      2   0.444905D+02  0.619200D+01 -0.407764D-01 -0.549293D+01  0.102019D+01
      3  -0.213770D+02  0.113356D+00  0.190182D+01  0.608725D+01  0.429078D+01
      4   0.372375D+02  0.837391D+01 -0.146486D+01 -0.205159D+01  0.464968D+01
      5   0.102219D+02  0.545856D+01  0.732437D+00  0.415320D+01  0.307981D+01
      6   0.187230D+02  0.990934D+01  0.167669D+01  0.574065D+01  0.316738D+01
                91            92            93            94            95 
      1  -0.383248D+00 -0.425752D+00  0.469530D+01 -0.245551D+01 -0.462260D+01
      2  -0.193484D+01  0.841923D+00  0.119087D+01  0.227411D+01  0.312592D+01
      3   0.231808D+01 -0.416170D+00 -0.588616D+01  0.181395D+00  0.149668D+01
      4  -0.822580D+00  0.370959D+01  0.192554D+01  0.267484D+01  0.262155D+01
      5  -0.232927D+00  0.984196D+00  0.608301D+01 -0.224735D+01  0.317636D+01
      6  -0.114919D+01 -0.936118D-01 -0.122066D+01  0.181569D+01  0.145125D+01
                96            97            98            99           100 
      1   0.438532D+01  0.758960D+00 -0.765163D+01 -0.344638D+02  0.931064D+01
      2   0.680652D+01 -0.233776D+01  0.278044D+00 -0.236872D+02 -0.251821D+01
      3  -0.111918D+02  0.157880D+01  0.737359D+01  0.581510D+02 -0.679242D+01
      4   0.344816D+01 -0.175006D+00  0.464931D+01  0.326282D+01 -0.740493D+01
      5  -0.287719D+01  0.661626D+01  0.397868D+01  0.211978D+02 -0.150000D+01
      6   0.615237D+01  0.861796D+00  0.814637D+01  0.135620D+02  0.181124D+01
               101           102           103           104           105 
      1  -0.845450D+01 -0.602260D+01 -0.359340D+01 -0.116326D+02 -0.101530D+02
      2   0.381832D+01  0.150085D+01  0.310333D+01  0.109941D+02  0.547550D+01
      3   0.463618D+01  0.452175D+01  0.490066D+00  0.638460D+00  0.467754D+01
      4   0.410348D+01  0.100046D+01  0.104929D+02 -0.153269D+02 -0.131539D+02
      5   0.369521D+00 -0.680983D+00  0.886373D+01 -0.139033D+02 -0.167562D+02
      6   0.275607D+01  0.326760D+01 -0.584393D+01  0.170791D+02  0.167363D+02
               106           107           108           109           110 
      1   0.192922D+01 -0.136698D+02 -0.159776D+02  0.883663D+02 -0.132655D+02
      2  -0.324921D+01  0.116883D+02  0.490757D+01 -0.404562D+02  0.396630D+01
      3   0.131999D+01  0.198145D+01  0.110700D+02 -0.479101D+02  0.929916D+01
      4   0.734394D+01 -0.168424D+02 -0.137850D+02 -0.324063D+02  0.160039D+02
      5   0.701580D+01 -0.144655D+02 -0.180608D+02  0.103387D+02 -0.167677D+01
      6  -0.636530D+01  0.180922D+02  0.192498D+02 -0.718246D+01  0.119106D+01
               111           112           113           114           115 
      1   0.966703D+01 -0.487318D+01  0.582749D+01  0.327901D+01  0.295043D+02
      2  -0.424883D+01  0.916688D+00 -0.117896D+01 -0.111257D+01 -0.165437D+02
      3  -0.541820D+01  0.395649D+01 -0.464853D+01 -0.216644D+01 -0.129606D+02
      4  -0.282641D+01  0.105147D+02 -0.326576D+01 -0.176586D+01 -0.253466D+01
      5   0.942703D+01  0.799574D+01 -0.232951D+01 -0.271842D+01  0.120826D+02
      6  -0.352647D+01 -0.137130D+01  0.206777D+01  0.237958D+01 -0.467750D+01
               116           117           118           119           120 
      1  -0.239514D+01  0.563288D+01  0.883663D+02  0.132659D+02  0.966707D+01
      2   0.128628D+01 -0.450360D+01 -0.404561D+02 -0.396642D+01 -0.424888D+01
      3   0.110887D+01 -0.112928D+01 -0.479101D+02 -0.929946D+01 -0.541819D+01
      4  -0.150568D+01 -0.471976D+01  0.324074D+02  0.160044D+02  0.282661D+01
      5  -0.309457D+01  0.566885D+01  0.103390D+02  0.167696D+01  0.942698D+01
      6   0.265407D+01 -0.440957D+00  0.718261D+01  0.119117D+01  0.352650D+01
               121           122           123           124           125 
      1   0.487376D+01  0.582771D+01 -0.327887D+01  0.295042D+02  0.239543D+01
      2  -0.916789D+00 -0.117889D+01  0.111250D+01 -0.165437D+02 -0.128644D+01
      3  -0.395697D+01 -0.464882D+01  0.216638D+01 -0.129605D+02 -0.110898D+01
      4   0.105155D+02  0.326635D+01 -0.176595D+01  0.253513D+01 -0.150566D+01
      5  -0.799561D+01 -0.232962D+01  0.271846D+01  0.120823D+02  0.309447D+01
      6  -0.137129D+01 -0.206780D+01  0.237958D+01  0.467741D+01  0.265408D+01
               126           127           128           129           130 
      1   0.563268D+01  0.931038D+01  0.845484D+01 -0.602269D+01  0.359334D+01
      2  -0.450346D+01 -0.251803D+01 -0.381865D+01  0.150097D+01 -0.310301D+01
      3  -0.112922D+01 -0.679235D+01 -0.463619D+01  0.452172D+01 -0.490331D+00
      4   0.471972D+01  0.740477D+01  0.410330D+01 -0.100021D+01  0.104930D+02
      5   0.566896D+01 -0.149974D+01 -0.369246D+00 -0.681290D+00 -0.886327D+01
      6   0.440989D+00 -0.181111D+01  0.275641D+01 -0.326791D+01 -0.584388D+01
               131           132           133           134           135 
      1  -0.116333D+02  0.101534D+02  0.192914D+01  0.136701D+02 -0.159775D+02
      2   0.109952D+02 -0.547613D+01 -0.324940D+01 -0.116890D+02  0.490818D+01
      3   0.638083D+00 -0.467726D+01  0.132027D+01 -0.198110D+01  0.110693D+02
      4   0.153273D+02 -0.131538D+02 -0.734358D+01 -0.168423D+02  0.137844D+02
      5  -0.139032D+02  0.167557D+02  0.701510D+01  0.144649D+02 -0.180596D+02
      6  -0.170795D+02  0.167363D+02  0.636488D+01  0.180920D+02 -0.192492D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 18:20:31 2021, MaxMem=  5637144576 cpu:            7554.9 elap:             947.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.20170 -10.19477 -10.19476 -10.18833 -10.18833
 Alpha  occ. eigenvalues --  -10.17064 -10.17064  -0.90406  -0.82748  -0.72682
 Alpha  occ. eigenvalues --   -0.71847  -0.59327  -0.56951  -0.50006  -0.48298
 Alpha  occ. eigenvalues --   -0.46152  -0.45990  -0.44511  -0.43841  -0.36309
 Alpha  occ. eigenvalues --   -0.32384  -0.32156  -0.28614  -0.26294  -0.25690
 Alpha virt. eigenvalues --   -0.01639  -0.01129   0.00576   0.02962   0.03283
 Alpha virt. eigenvalues --    0.03309   0.05533   0.05890   0.06674   0.07968
 Alpha virt. eigenvalues --    0.08784   0.08927   0.09759   0.11134   0.12237
 Alpha virt. eigenvalues --    0.13612   0.13687   0.14163   0.14484   0.15446
 Alpha virt. eigenvalues --    0.15951   0.17313   0.17529   0.17851   0.19065
 Alpha virt. eigenvalues --    0.20218   0.21140   0.22058   0.22644   0.22721
 Alpha virt. eigenvalues --    0.23377   0.23855   0.24160   0.24847   0.25473
 Alpha virt. eigenvalues --    0.26269   0.26400   0.27331   0.27549   0.27614
 Alpha virt. eigenvalues --    0.29015   0.29386   0.30004   0.30244   0.31223
 Alpha virt. eigenvalues --    0.31260   0.31417   0.31778   0.32215   0.32267
 Alpha virt. eigenvalues --    0.32683   0.32752   0.34299   0.35459   0.35827
 Alpha virt. eigenvalues --    0.35941   0.37144   0.37857   0.38188   0.38947
 Alpha virt. eigenvalues --    0.39072   0.40431   0.40644   0.41010   0.41910
 Alpha virt. eigenvalues --    0.42032   0.42473   0.44035   0.44150   0.44381
 Alpha virt. eigenvalues --    0.45021   0.46040   0.46816   0.47418   0.49063
 Alpha virt. eigenvalues --    0.49659   0.50300   0.51232   0.53509   0.53638
 Alpha virt. eigenvalues --    0.55314   0.55725   0.55878   0.56500   0.58874
 Alpha virt. eigenvalues --    0.59807   0.62536   0.62685   0.62733   0.63403
 Alpha virt. eigenvalues --    0.64131   0.64255   0.64543   0.65285   0.65979
 Alpha virt. eigenvalues --    0.67670   0.67915   0.68687   0.69007   0.69606
 Alpha virt. eigenvalues --    0.70224   0.70306   0.71471   0.72074   0.72494
 Alpha virt. eigenvalues --    0.72899   0.74339   0.75863   0.77184   0.78216
 Alpha virt. eigenvalues --    0.78654   0.80100   0.80985   0.81743   0.84369
 Alpha virt. eigenvalues --    0.85099   0.86473   0.87899   0.89488   0.92344
 Alpha virt. eigenvalues --    0.95261   0.96110   0.99220   0.99387   1.02360
 Alpha virt. eigenvalues --    1.04940   1.05624   1.07286   1.07906   1.13610
 Alpha virt. eigenvalues --    1.14415   1.17735   1.17791   1.20914   1.21344
 Alpha virt. eigenvalues --    1.23095   1.23125   1.24787   1.33319   1.33925
 Alpha virt. eigenvalues --    1.34143   1.35364   1.35394   1.36075   1.39104
 Alpha virt. eigenvalues --    1.39317   1.42380   1.46061   1.49080   1.57443
 Alpha virt. eigenvalues --    1.58370   1.62998   1.63478   1.68998   1.70874
 Alpha virt. eigenvalues --    1.76025   1.77841   1.78352   1.80167   1.80641
 Alpha virt. eigenvalues --    1.81170   1.81769   1.84358   1.84372   1.84853
 Alpha virt. eigenvalues --    1.85799   1.86460   1.91656   1.92227   1.92415
 Alpha virt. eigenvalues --    1.93003   1.95024   1.95649   1.96741   1.99008
 Alpha virt. eigenvalues --    1.99538   2.06212   2.06767   2.10654   2.11572
 Alpha virt. eigenvalues --    2.16985   2.18714   2.21834   2.24636   2.25140
 Alpha virt. eigenvalues --    2.27957   2.29755   2.29808   2.35165   2.37657
 Alpha virt. eigenvalues --    2.37833   2.39509   2.43672   2.47013   2.47785
 Alpha virt. eigenvalues --    2.50580   2.51663   2.51933   2.53438   2.61460
 Alpha virt. eigenvalues --    2.62641   2.64437   2.64526   2.68211   2.68779
 Alpha virt. eigenvalues --    2.69795   2.71643   2.76827   2.77646   2.79680
 Alpha virt. eigenvalues --    2.80882   2.81907   2.83284   2.84902   2.89599
 Alpha virt. eigenvalues --    2.90438   2.90450   2.96074   2.96224   2.99456
 Alpha virt. eigenvalues --    2.99563   3.02978   3.05132   3.05568   3.06813
 Alpha virt. eigenvalues --    3.08584   3.13245   3.15631   3.16295   3.18764
 Alpha virt. eigenvalues --    3.20845   3.21841   3.23142   3.23244   3.25526
 Alpha virt. eigenvalues --    3.28415   3.28870   3.30814   3.33296   3.36124
 Alpha virt. eigenvalues --    3.36673   3.39136   3.39553   3.40372   3.41948
 Alpha virt. eigenvalues --    3.47019   3.48845   3.50580   3.51233   3.52263
 Alpha virt. eigenvalues --    3.55117   3.57081   3.60206   3.61816   3.63479
 Alpha virt. eigenvalues --    3.63916   3.65928   3.70321   3.70817   3.71490
 Alpha virt. eigenvalues --    3.76833   3.80352   3.84765   3.84909   3.89105
 Alpha virt. eigenvalues --    3.94815   3.96530   4.01360   4.10955   4.12570
 Alpha virt. eigenvalues --    4.19447   4.19607   4.26546   4.27099   4.29747
 Alpha virt. eigenvalues --    4.31355   4.36429   4.39405   4.46733   4.50892
 Alpha virt. eigenvalues --    4.52458   4.54539   4.63176   4.65306   4.69450
 Alpha virt. eigenvalues --    4.75653   4.79378   4.80772   4.85035   5.05493
 Alpha virt. eigenvalues --    5.07355   5.11164   5.17932   5.23109   5.31844
 Alpha virt. eigenvalues --    5.32413   5.39674   5.51415   5.75553  22.56790
 Alpha virt. eigenvalues --   22.60431  22.66272  22.71628  23.44669  23.45886
 Alpha virt. eigenvalues --   23.70698
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.768381  -0.176446   0.534701  -0.226326  -0.026014  -0.139731
     2  C   -0.176446   6.520879  -0.279877  -0.137813  -0.176455  -0.279893
     3  C    0.534701  -0.279877   5.874447   0.203897  -0.139739  -0.258002
     4  C   -0.226326  -0.137813   0.203897   6.129597   0.038571  -0.007258
     5  C   -0.026014  -0.176455  -0.139739   0.038571   5.768393   0.534717
     6  C   -0.139731  -0.279893  -0.258002  -0.007258   0.534717   5.874442
     7  C    0.038572  -0.137807  -0.007257  -0.009426  -0.226336   0.203889
     8  H   -0.005762   0.001906  -0.003494   0.000115   0.358791   0.033271
     9  H   -0.005716  -0.003126  -0.022212  -0.004916   0.366512   0.034255
    10  H    0.358792   0.001905   0.033272  -0.008857  -0.005762  -0.003494
    11  H    0.366514  -0.003127   0.034255  -0.006479  -0.005716  -0.022211
    12  H    0.003385  -0.015442  -0.005193   0.401683  -0.000208  -0.004716
    13  H   -0.009582  -0.001313  -0.013558   0.420177   0.000410   0.000233
    14  H    0.000410  -0.001314   0.000233  -0.000152  -0.009580  -0.013557
    15  H   -0.000208  -0.015443  -0.004716  -0.000563   0.003385  -0.005192
               7          8          9         10         11         12
     1  C    0.038572  -0.005762  -0.005716   0.358792   0.366514   0.003385
     2  C   -0.137807   0.001906  -0.003126   0.001905  -0.003127  -0.015442
     3  C   -0.007257  -0.003494  -0.022212   0.033272   0.034255  -0.005193
     4  C   -0.009426   0.000115  -0.004916  -0.008857  -0.006479   0.401683
     5  C   -0.226336   0.358791   0.366512  -0.005762  -0.005716  -0.000208
     6  C    0.203889   0.033271   0.034255  -0.003494  -0.022211  -0.004716
     7  C    6.129606  -0.008857  -0.006479   0.000115  -0.004916  -0.000563
     8  H   -0.008857   0.429900   0.002240  -0.000715   0.000630  -0.000027
     9  H   -0.006479   0.002240   0.441599   0.000630  -0.000590   0.000041
    10  H    0.000115  -0.000715   0.000630   0.429898   0.002240   0.000191
    11  H   -0.004916   0.000630  -0.000590   0.002240   0.441598  -0.000255
    12  H   -0.000563  -0.000027   0.000041   0.000191  -0.000255   0.379651
    13  H   -0.000152   0.000025  -0.000180  -0.000289   0.000084   0.002917
    14  H    0.420177  -0.000289   0.000084   0.000025  -0.000180  -0.000005
    15  H    0.401683   0.000191  -0.000255  -0.000027   0.000041  -0.000074
              13         14         15
     1  C   -0.009582   0.000410  -0.000208
     2  C   -0.001313  -0.001314  -0.015443
     3  C   -0.013558   0.000233  -0.004716
     4  C    0.420177  -0.000152  -0.000563
     5  C    0.000410  -0.009580   0.003385
     6  C    0.000233  -0.013557  -0.005192
     7  C   -0.000152   0.420177   0.401683
     8  H    0.000025  -0.000289   0.000191
     9  H   -0.000180   0.000084  -0.000255
    10  H   -0.000289   0.000025  -0.000027
    11  H    0.000084  -0.000180   0.000041
    12  H    0.002917  -0.000005  -0.000074
    13  H    0.361744   0.000004  -0.000005
    14  H    0.000004   0.361742   0.002918
    15  H   -0.000005   0.002918   0.379650
 Mulliken charges:
               1
     1  C   -0.480970
     2  C    0.703366
     3  C    0.053243
     4  C   -0.792250
     5  C   -0.480969
     6  C    0.053247
     7  C   -0.792250
     8  H    0.192076
     9  H    0.198113
    10  H    0.192077
    11  H    0.198113
    12  H    0.238616
    13  H    0.239485
    14  H    0.239486
    15  H    0.238616
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.090780
     2  C    0.703366
     3  C    0.053243
     4  C   -0.314149
     5  C   -0.090780
     6  C    0.053247
     7  C   -0.314148
 Electronic spatial extent (au):  <R**2>=            790.5298
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4842    Z=             -0.0000  Tot=              0.4842
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -42.2441   YY=            -41.8830   ZZ=            -41.5923
   XY=             -0.0000   XZ=              0.9520   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3376   YY=              0.0235   ZZ=              0.3141
   XY=             -0.0000   XZ=              0.9520   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              5.9612  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -3.9180  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.3270
  YYZ=              0.0001  XYZ=              4.6774
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -680.6718 YYYY=           -226.9738 ZZZZ=           -173.3068 XXXY=              0.0001
 XXXZ=              9.2138 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              5.1070
 ZZZY=             -0.0002 XXYY=           -152.5843 XXZZ=           -157.4640 YYZZ=            -66.8830
 XXYZ=              0.0002 YYXZ=             -4.3022 ZZXY=             -0.0002
 N-N= 2.623669224215D+02 E-N=-1.153484662254D+03  KE= 2.700408193564D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 18:20:32 2021, MaxMem=  5637144576 cpu:               8.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.2459    2.2451       -0.0000   -0.0000
 2     -2.2459   -2.2451        0.0000    0.0000      -19.0004  -19.0057
 3      0.0000    0.0000       22.6918   22.6977       -0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000        0.0000    0.0000
 5     -3.6914   -3.6919       -0.0000   -0.0000        2.2418    2.2451
 6      0.0000    0.0000       -2.2418   -2.2451       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.7352   -6.7352       -0.0000   -0.0000
 2     -0.0000   -0.0000       -0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -6.7352   -6.7352        0.0000    0.0000
 4     -6.7352   -6.7352        0.0000    0.0000      -57.0172  -57.0172
 5      0.0000    0.0000       68.0931   68.0931       -0.0000   -0.0000
 6    -11.0758  -11.0758       -0.0000   -0.0000        6.7352    6.7352
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -8.9588   -8.9803       -0.0000    0.0000
 2      8.6564    8.9803       -0.0000   -0.0000       75.6577   76.0230
 3      0.0000   -0.0000      -90.5432  -90.7907        0.0001    0.0000
 4      0.0000    0.0000       -0.0693    0.0000       -0.0000   -0.0000
 5     14.7853   14.7678        0.0000    0.0000       -8.5482   -8.9803
 6     -0.0001   -0.0000        9.0570    8.9803       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       41.3582   41.1511        0.0001    0.0001
 2    -40.8148  -41.1511        0.0007    0.0007      -51.5548  -52.2621
 3     -0.0001   -0.0001      -21.3245  -21.7207       -0.0007   -0.0007
 4     -0.0007   -0.0007       -0.1550    0.0000       -0.0000   -0.0001
 5     74.2823   73.9827        0.0001    0.0001       41.3609   41.1511
 6      0.0006    0.0007      -41.1062  -41.1511       -0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0021   -0.0022      118.4905  118.7046       -0.0008   -0.0009
 2     -0.0027   -0.0028      131.0900  131.1587       -0.0008   -0.0009
 3     -0.0027   -0.0028      118.6203  118.7046       -0.0011   -0.0012
 4    -12.2882  -12.4541        0.0006    0.0006      -34.6623  -35.1388
 5     -0.0004   -0.0003      -44.6612  -44.8167       -0.0006   -0.0006
 6     80.2354   79.9555        0.0003    0.0003       12.7869   12.4541
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     13.2856                 4.7767                 8.6229
  Dep-P Fr= 1--      0.7364                 0.7500                 0.6332
  Dep-U Fr= 1--      0.8482                 0.8571                 0.7754
 Alpha2 Fr= 1--      0.0031                 0.0000                 0.0183
 Beta2  Fr= 1--      1.8781                 0.6824                 1.1143
 AlphaG Fr= 1--     -0.0051                -0.0000                 0.0132
 Gamma2 Fr= 1--      3.3388                -2.8562                 0.2398
 Delta2 Fr= 1--     -1.4549                 1.3094                 0.4346
 Raman1 Fr= 1--      53.142                 19.107                 34.492
 ROA1   Fr= 1--     273.970               -232.296                 36.931
 CID1   Fr= 1--       5.155                -12.158                  1.071
 Raman2 Fr= 1--      22.537                  8.189                 13.372
 ROA2   Fr= 1--      91.770                -79.025                  2.280
 CID2   Fr= 1--       4.072                 -9.651                  0.170
 Raman3 Fr= 1--      45.074                 16.377                 26.744
 ROA3   Fr= 1--     273.970               -232.296                 36.931
 CID3   Fr= 1--       6.078                -14.184                  1.381
 RC180  Fr= 1--       0.696                  0.714                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.3252                 4.7733                 1.1225
  Dep-P Fr= 1--      0.7500                 0.6514                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7889                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0084                 0.0000
 Beta2  Fr= 1--      0.1893                 0.6276                 0.1604
 AlphaG Fr= 1--      0.0000                 0.0677                 0.0000
 Gamma2 Fr= 1--     -1.5600                 2.7022                 1.0126
 Delta2 Fr= 1--     -0.6241                -0.2530                 1.4551
 Raman1 Fr= 1--       5.301                 19.093                  4.490
 ROA1   Fr= 1--    -169.727                251.315                143.771
 CID1   Fr= 1--     -32.018                 13.162                 32.021
 Raman2 Fr= 1--       2.272                  7.531                  1.924
 ROA2   Fr= 1--     -32.447                 66.877                 12.660
 CID2   Fr= 1--     -14.282                  8.880                  6.579
 Raman3 Fr= 1--       4.544                 15.063                  3.848
 ROA3   Fr= 1--    -169.727                251.315                143.771
 CID3   Fr= 1--     -37.355                 16.685                 37.358
 RC180  Fr= 1--       0.714                  0.578                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      2.8981                30.2841                 3.3088
  Dep-P Fr= 1--      0.7263                 0.2043                 0.7500
  Dep-U Fr= 1--      0.8414                 0.3393                 0.8571
 Alpha2 Fr= 1--      0.0012                 0.4066                 0.0000
 Beta2  Fr= 1--      0.4064                 1.7127                 0.4727
 AlphaG Fr= 1--      0.0373                -0.3882                -0.0000
 Gamma2 Fr= 1--      0.7712                -0.2401                -3.9478
 Delta2 Fr= 1--     -0.8196                 0.0999                -0.2419
 Raman1 Fr= 1--      11.592                121.136                 13.235
 ROA1   Fr= 1--      47.805                -19.850               -386.732
 CID1   Fr= 1--       4.124                 -0.164                -29.220
 Raman2 Fr= 1--       4.877                 20.553                  5.672
 ROA2   Fr= 1--      25.065                 -6.561                -92.812
 CID2   Fr= 1--       5.139                 -0.319                -16.363
 Raman3 Fr= 1--       9.754                 41.106                 11.344
 ROA3   Fr= 1--      47.805                -19.850               -386.732
 CID3   Fr= 1--       4.901                 -0.483                -34.090
 RC180  Fr= 1--       0.683                 -0.321                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      9.1511                20.2492                14.8435
  Dep-P Fr= 1--      0.3930                 0.7500                 0.4576
  Dep-U Fr= 1--      0.5643                 0.8571                 0.6279
 Alpha2 Fr= 1--      0.0695                 0.0000                 0.0882
 Beta2  Fr= 1--      0.8607                 2.8927                 1.5534
 AlphaG Fr= 1--      0.5589                -0.0000                -1.1198
 Gamma2 Fr= 1--     -0.7616                 8.1995                -7.8669
 Delta2 Fr= 1--     -2.3877                -3.6530                 6.1076
 Raman1 Fr= 1--      36.604                 80.997                 59.374
 ROA1   Fr= 1--    -149.522                670.259               -559.781
 CID1   Fr= 1--      -4.085                  8.275                 -9.428
 Raman2 Fr= 1--      10.328                 34.713                 18.641
 ROA2   Fr= 1--       0.824                226.013               -237.667
 CID2   Fr= 1--       0.080                  6.511                -12.750
 Raman3 Fr= 1--      20.656                 69.426                 37.282
 ROA3   Fr= 1--    -149.522                670.259               -559.781
 CID3   Fr= 1--      -7.239                  9.654                -15.015
 RC180  Fr= 1--       0.129                  0.714                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      5.1982                 3.3515                12.3542
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7442
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8534
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0012
 Beta2  Fr= 1--      0.7426                 0.4788                 1.7571
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0411
 Gamma2 Fr= 1--      1.1470                 0.9433                 2.1031
 Delta2 Fr= 1--      0.3578                 0.3128                -1.7357
 Raman1 Fr= 1--      20.793                 13.406                 49.417
 ROA1   Fr= 1--     121.566                100.563                146.360
 CID1   Fr= 1--       5.847                  7.501                  2.962
 Raman2 Fr= 1--       8.911                  5.746                 21.085
 ROA2   Fr= 1--      24.666                 20.135                 64.361
 CID2   Fr= 1--       2.768                  3.505                  3.052
 Raman3 Fr= 1--      17.822                 11.491                 42.171
 ROA3   Fr= 1--     121.566                100.563                146.360
 CID3   Fr= 1--       6.821                  8.751                  3.471
 RC180  Fr= 1--       0.714                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     52.3238                 1.7134                 2.4760
  Dep-P Fr= 1--      0.0151                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0298                 0.8571                 0.8571
 Alpha2 Fr= 1--      1.1224                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2596                 0.2448                 0.3537
 AlphaG Fr= 1--      0.9236                 0.0000                -0.0000
 Gamma2 Fr= 1--      1.3531                 4.4320                 2.0207
 Delta2 Fr= 1--      1.6790                -1.4980                -0.8273
 Raman1 Fr= 1--     209.295                  6.854                  9.904
 ROA1   Fr= 1--     183.624                377.536                167.516
 CID1   Fr= 1--       0.877                 55.085                 16.914
 Raman2 Fr= 1--       3.115                  2.937                  4.244
 ROA2   Fr= 1--      19.042                118.351                 55.116
 CID2   Fr= 1--       6.112                 40.293                 12.985
 Raman3 Fr= 1--       6.231                  5.875                  8.489
 ROA3   Fr= 1--     183.624                377.536                167.516
 CID3   Fr= 1--      29.469                 64.266                 19.733
 RC180  Fr= 1--      -0.940                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.3062                 9.3161                 0.0967
  Dep-P Fr= 1--      0.3768                 0.5626                 0.7500
  Dep-U Fr= 1--      0.5473                 0.7201                 0.8571
 Alpha2 Fr= 1--      0.0025                 0.0331                 0.0000
 Beta2  Fr= 1--      0.0279                 1.1181                 0.0138
 AlphaG Fr= 1--     -0.0970                 0.4224                 0.0000
 Gamma2 Fr= 1--      0.6710                 1.7031                 0.8668
 Delta2 Fr= 1--      0.1072                 3.9294                 0.1669
 Raman1 Fr= 1--       1.225                 37.264                  0.387
 ROA1   Fr= 1--      67.843                289.241                 88.557
 CID1   Fr= 1--      55.388                  7.762                229.050
 Raman2 Fr= 1--       0.335                 13.417                  0.166
 ROA2   Fr= 1--      15.245                  9.440                 19.469
 CID2   Fr= 1--      45.480                  0.704                117.497
 Raman3 Fr= 1--       0.670                 26.835                  0.331
 ROA3   Fr= 1--      67.843                289.241                 88.557
 CID3   Fr= 1--     101.194                 10.779                267.225
 RC180  Fr= 1--       0.095                  0.440                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      1.0722                 0.7564                 2.7603
  Dep-P Fr= 1--      0.3112                 0.7500                 0.3288
  Dep-U Fr= 1--      0.4747                 0.8571                 0.4949
 Alpha2 Fr= 1--      0.0106                 0.0000                 0.0259
 Beta2  Fr= 1--      0.0848                 0.1081                 0.2277
 AlphaG Fr= 1--      0.2048                 0.0000                 0.3078
 Gamma2 Fr= 1--     -1.6681                -1.1317                -2.1557
 Delta2 Fr= 1--      0.7436                -0.4468                -0.9927
 Raman1 Fr= 1--       4.289                  3.026                 11.041
 ROA1   Fr= 1--    -136.337               -122.937               -238.711
 CID1   Fr= 1--     -31.790                -40.630                -21.620
 Raman2 Fr= 1--       1.018                  1.297                  2.732
 ROA2   Fr= 1--     -45.983                -23.585                -43.795
 CID2   Fr= 1--     -45.176                -18.188                -16.030
 Raman3 Fr= 1--       2.036                  2.593                  5.464
 ROA3   Fr= 1--    -136.337               -122.937               -238.711
 CID3   Fr= 1--     -66.973                -47.402                -43.688
 RC180  Fr= 1--      -0.051                  0.714                 -0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      7.5108                32.4210                13.8965
  Dep-P Fr= 1--      0.7500                 0.5402                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7015                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1308                 0.0000
 Beta2  Fr= 1--      1.0730                 3.7904                 1.9852
 AlphaG Fr= 1--      0.0000                -0.1045                -0.0000
 Gamma2 Fr= 1--     -1.9370                -9.5683                 5.7828
 Delta2 Fr= 1--     -3.2553                 3.3004                 0.1596
 Raman1 Fr= 1--      30.043                129.684                 55.586
 ROA1   Fr= 1--    -290.123               -812.944                560.255
 CID1   Fr= 1--      -9.657                 -6.269                 10.079
 Raman2 Fr= 1--      12.876                 45.485                 23.823
 ROA2   Fr= 1--     -20.446               -256.042                137.510
 CID2   Fr= 1--      -1.588                 -5.629                  5.772
 Raman3 Fr= 1--      25.751                 90.971                 47.645
 ROA3   Fr= 1--    -290.123               -812.944                560.255
 CID3   Fr= 1--     -11.266                 -8.936                 11.759
 RC180  Fr= 1--       0.714                  0.403                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--     11.0120                20.1468               210.1145
  Dep-P Fr= 1--      0.1042                 0.7500                 0.1084
  Dep-U Fr= 1--      0.1888                 0.8571                 0.1956
 Alpha2 Fr= 1--      0.1908                 0.0000                 3.6040
 Beta2  Fr= 1--      0.3465                 2.8781                 6.8481
 AlphaG Fr= 1--      0.0948                -0.0000                 1.9740
 Gamma2 Fr= 1--      0.5839                -0.8042               -23.2223
 Delta2 Fr= 1--      0.6620                -5.9906                 9.0598
 Raman1 Fr= 1--      44.048                 80.587                840.458
 ROA1   Fr= 1--      77.242               -268.906              -1939.424
 CID1   Fr= 1--       1.754                 -3.337                 -2.308
 Raman2 Fr= 1--       4.158                 34.537                 82.177
 ROA2   Fr= 1--       8.719                 28.623               -629.813
 CID2   Fr= 1--       2.097                  0.829                 -7.664
 Raman3 Fr= 1--       8.317                 69.075                164.354
 ROA3   Fr= 1--      77.242               -268.906              -1939.424
 CID3   Fr= 1--       9.288                 -3.893                -11.800
 RC180  Fr= 1--      -0.622                  0.714                 -0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     62.8431               434.7385                36.7012
  Dep-P Fr= 1--      0.7500                 0.0300                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0583                 0.8571
 Alpha2 Fr= 1--      0.0000                 9.0038                 0.0000
 Beta2  Fr= 1--      8.9776                 4.2239                 5.2428
 AlphaG Fr= 1--      0.0000                 1.5380                 0.0000
 Gamma2 Fr= 1--     22.4847               -22.4363                30.0545
 Delta2 Fr= 1--    -15.2160                -2.1855               -10.8571
 Raman1 Fr= 1--     251.373               1738.954                146.805
 ROA1   Fr= 1--    1671.621              -2223.825               2537.806
 CID1   Fr= 1--       6.650                 -1.279                 17.287
 Raman2 Fr= 1--     107.731                 50.687                 62.914
 ROA2   Fr= 1--     661.360               -520.988                808.166
 CID2   Fr= 1--       6.139                -10.279                 12.846
 Raman3 Fr= 1--     215.462                101.374                125.827
 ROA3   Fr= 1--    1671.621              -2223.825               2537.806
 CID3   Fr= 1--       7.758                -21.937                 20.169
 RC180  Fr= 1--       0.714                 -0.883                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     57.4115               356.1730               181.6614
  Dep-P Fr= 1--      0.7498                 0.0447                 0.7464
  Dep-U Fr= 1--      0.8570                 0.0856                 0.8548
 Alpha2 Fr= 1--      0.0002                 7.1245                 0.0109
 Beta2  Fr= 1--      8.2003                 5.0816                25.8813
 AlphaG Fr= 1--     -0.0001                -2.2649                -0.2756
 Gamma2 Fr= 1--    -12.7398                11.5875                -8.3102
 Delta2 Fr= 1--     -8.7756                 0.6529                 0.6516
 Raman1 Fr= 1--     229.646               1424.692                726.646
 ROA1   Fr= 1--   -1503.843               1133.290               -776.928
 CID1   Fr= 1--      -6.549                  0.795                 -1.069
 Raman2 Fr= 1--      98.404                 60.979                310.575
 ROA2   Fr= 1--    -235.552                272.876               -204.657
 CID2   Fr= 1--      -2.394                  4.475                 -0.659
 Raman3 Fr= 1--     196.807                121.958                621.150
 ROA3   Fr= 1--   -1503.843               1133.290               -776.928
 CID3   Fr= 1--      -7.641                  9.292                 -1.251
 RC180  Fr= 1--       0.714                 -0.829                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     29.7784                51.0563               221.6811
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7089
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8297
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1579
 Beta2  Fr= 1--      4.2541                 7.2936                30.6538
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.5701
 Gamma2 Fr= 1--     32.6058               -22.6972                15.8053
 Delta2 Fr= 1--      8.3416                 4.5225                 5.3031
 Raman1 Fr= 1--     119.114                204.225                886.724
 ROA1   Fr= 1--    3397.085              -2034.213               1687.010
 CID1   Fr= 1--      28.520                 -9.961                  1.903
 Raman2 Fr= 1--      51.049                 87.523                367.845
 ROA2   Fr= 1--     715.806               -580.914                336.902
 CID2   Fr= 1--      14.022                 -6.637                  0.916
 Raman3 Fr= 1--     102.097                175.045                735.690
 ROA3   Fr= 1--    3397.085              -2034.213               1687.010
 CID3   Fr= 1--      33.273                -11.621                  2.293
 RC180  Fr= 1--       0.714                  0.714                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121660D+03 -0.553205D-05 -0.449015D+01
      2  -0.553205D-05  0.836483D+02 -0.194382D-04
      3  -0.449015D+01 -0.194382D-04  0.762644D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.567664D+01 -0.841713D-04  0.457402D+01
      2   0.370980D-04  0.204544D+02  0.284139D-03
      3   0.365771D+02  0.427072D-03 -0.165370D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.107047D-02 -0.802478D+02 -0.891353D-03
      2  -0.161050D-02  0.293370D+02  0.252766D-03
      3   0.540025D-03  0.509108D+02  0.638587D-03
      4  -0.114580D+03 -0.148458D-02  0.621789D+02
      5  -0.984152D-03  0.637919D+02  0.127013D-02
      6   0.429965D+02 -0.129734D-03  0.412472D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.115140D+02  0.477106D+01  0.624645D+01 -0.326666D+01 -0.157684D+01
      2   0.477106D+01 -0.261799D+01  0.282653D+00 -0.157684D+01 -0.470620D+01
      3   0.624645D+01  0.282653D+00  0.202833D+01 -0.262111D-02 -0.112733D+00
                 6             7             8             9            10 
      1  -0.262111D-02  0.371644D+01  0.309142D+01  0.238257D+01  0.679950D-03
      2  -0.112733D+00  0.309142D+01  0.196416D+01  0.500942D+00 -0.116726D+02
      3   0.240122D+01  0.238257D+01  0.500942D+00 -0.514742D+01 -0.121765D-03
                11            12            13            14            15 
      1  -0.116726D+02 -0.121765D-03 -0.852637D+01  0.173601D-03 -0.525177D+01
      2   0.653898D-04 -0.141464D+01  0.173601D-03 -0.149279D+01  0.505978D-05
      3  -0.141464D+01  0.378870D-05 -0.525177D+01  0.505978D-05 -0.111812D+01
                16            17            18            19            20 
      1  -0.152542D-03 -0.766882D+01 -0.143355D-03 -0.119093D+02  0.791902D+01
      2  -0.766882D+01 -0.729329D-05 -0.138965D+01  0.791902D+01 -0.607662D+01
      3  -0.143355D-03 -0.138965D+01 -0.104723D-03  0.333052D+01 -0.551678D+00
                21            22            23            24            25 
      1   0.333052D+01  0.155161D+02 -0.518247D+01  0.438223D-01  0.124884D+02
      2  -0.551678D+00 -0.518247D+01  0.693112D+01 -0.168519D+00 -0.520715D+00
      3  -0.352649D+01  0.438223D-01 -0.168519D+00  0.110443D+01 -0.103832D+01
                26            27            28            29            30 
      1  -0.520715D+00 -0.103832D+01  0.597041D+01 -0.432780D+01 -0.733852D+01
      2   0.702543D+00  0.474484D+00 -0.432780D+01  0.492735D+01  0.110250D+01
      3   0.474484D+00  0.265651D+01 -0.733852D+01  0.110250D+01  0.443159D+01
                31            32            33            34            35 
      1  -0.832894D+01  0.847067D+01 -0.128519D+01 -0.128457D+02  0.102711D+00
      2   0.847067D+01 -0.917431D+01  0.250124D+01  0.102711D+00  0.295780D+01
      3  -0.128519D+01  0.250124D+01  0.146780D+01  0.566902D+01  0.909027D+00
                36            37            38            39            40 
      1   0.566902D+01 -0.115142D+02  0.477120D+01 -0.624632D+01 -0.326662D+01
      2   0.909027D+00  0.477120D+01  0.261798D+01  0.282787D+00  0.157675D+01
      3  -0.237425D+01 -0.624632D+01  0.282787D+00 -0.202835D+01 -0.251685D-02
                41            42            43            44            45 
      1   0.157675D+01 -0.251685D-02 -0.371638D+01  0.309156D+01 -0.238255D+01
      2  -0.470626D+01  0.112655D+00  0.309156D+01 -0.196418D+01  0.500594D+00
      3   0.112655D+00  0.240098D+01 -0.238255D+01  0.500594D+00  0.514777D+01
                46            47            48            49            50 
      1   0.119082D+02  0.791894D+01 -0.333038D+01  0.155161D+02  0.518245D+01
      2   0.791894D+01  0.607659D+01 -0.551674D+00  0.518245D+01  0.693129D+01
      3  -0.333038D+01 -0.551674D+00  0.352645D+01  0.438088D-01  0.168472D+00
                51            52            53            54            55 
      1   0.438088D-01 -0.124882D+02 -0.520713D+00  0.103841D+01 -0.596982D+01
      2   0.168472D+00 -0.520713D+00 -0.702587D+00  0.474657D+00 -0.432776D+01
      3   0.110459D+01  0.103841D+01  0.474657D+00 -0.265668D+01  0.733844D+01
                56            57            58            59            60 
      1  -0.432776D+01  0.733844D+01 -0.832883D+01 -0.847061D+01 -0.128509D+01
      2  -0.492737D+01  0.110263D+01 -0.847061D+01 -0.917426D+01 -0.250135D+01
      3   0.110263D+01 -0.443165D+01 -0.128509D+01 -0.250135D+01  0.146761D+01
                61            62            63            64            65 
      1   0.128456D+02  0.102823D+00 -0.566915D+01 -0.985734D+00  0.170433D+01
      2   0.102823D+00 -0.295789D+01  0.908811D+00  0.170433D+01 -0.326811D+01
      3  -0.566915D+01  0.908811D+00  0.237444D+01  0.927222D-01  0.869345D+00
                66            67            68            69            70 
      1   0.927222D-01  0.394566D+01 -0.341817D+01  0.891841D+00  0.183042D+01
      2   0.869345D+00 -0.341817D+01  0.113323D+02 -0.241844D+01 -0.397710D+00
      3  -0.781252D+00  0.891841D+00 -0.241844D+01  0.172033D+01 -0.449088D+00
                71            72            73            74            75 
      1  -0.397710D+00 -0.449088D+00  0.109050D+01 -0.108622D+00 -0.400450D+00
      2   0.802146D+00  0.129983D+01 -0.108622D+00 -0.448427D+00 -0.112708D+00
      3   0.129983D+01 -0.127415D+01 -0.400450D+00 -0.112708D+00  0.118585D+01
                76            77            78            79            80 
      1  -0.681293D+00 -0.563895D+00 -0.226551D-02 -0.207691D+01 -0.317640D+00
      2  -0.563895D+00  0.706483D+00 -0.121792D+01 -0.317640D+00 -0.184728D+01
      3  -0.226551D-02 -0.121792D+01 -0.191069D+01 -0.850982D+00  0.189122D+01
                81            82            83            84            85 
      1  -0.850982D+00  0.985702D+00  0.170431D+01 -0.926961D-01  0.394569D+01
      2   0.189122D+01  0.170431D+01  0.326803D+01  0.869393D+00  0.341814D+01
      3  -0.118641D+02 -0.926961D-01  0.869393D+00  0.781284D+00  0.891901D+00
                86            87            88            89            90 
      1   0.341814D+01  0.891901D+00 -0.183031D+01 -0.397633D+00  0.449101D+00
      2   0.113322D+02  0.241863D+01 -0.397633D+00 -0.801938D+00  0.129984D+01
      3   0.241863D+01  0.172042D+01  0.449101D+00  0.129984D+01  0.127422D+01
                91            92            93            94            95 
      1  -0.109048D+01 -0.108642D+00  0.400428D+00 -0.681321D+00  0.563902D+00
      2  -0.108642D+00  0.448444D+00 -0.112658D+00  0.563902D+00  0.706343D+00
      3   0.400428D+00 -0.112658D+00 -0.118584D+01 -0.227376D-02  0.121792D+01
                96            97            98            99           100 
      1  -0.227376D-02  0.207689D+01 -0.317647D+00  0.850958D+00  0.231262D+01
      2   0.121792D+01 -0.317647D+00  0.184718D+01  0.189093D+01 -0.126239D+01
      3  -0.191097D+01  0.850958D+00  0.189093D+01  0.118640D+02 -0.352430D+00
               101           102           103           104           105 
      1  -0.126239D+01 -0.352430D+00 -0.205140D+01  0.144766D+01  0.166678D+01
      2  -0.372716D+00 -0.705256D+00  0.144766D+01 -0.394716D+01 -0.347381D+01
      3  -0.705256D+00 -0.120694D+01  0.166678D+01 -0.347381D+01 -0.382317D+01
               106           107           108           109           110 
      1  -0.988224D+00  0.159249D+01  0.119618D+01  0.142713D+02 -0.285930D+01
      2   0.159249D+01 -0.448061D+01 -0.381274D+01 -0.285930D+01  0.170665D+01
      3   0.119618D+01 -0.381274D+01 -0.473317D+01  0.159402D+01 -0.177665D+00
               111           112           113           114           115 
      1   0.159402D+01 -0.870271D+00  0.138028D+01  0.131344D+01  0.516949D+01
      2  -0.177665D+00  0.138028D+01 -0.395686D+00 -0.531948D+00  0.283744D+00
      3   0.112040D+01  0.131344D+01 -0.531948D+00 -0.400675D+00  0.158574D+01
               116           117           118           119           120 
      1   0.283744D+00  0.158574D+01 -0.142714D+02 -0.285939D+01 -0.159405D+01
      2  -0.594770D+00 -0.567657D+00 -0.285939D+01 -0.170668D+01 -0.177701D+00
      3  -0.567657D+00  0.553223D+00 -0.159405D+01 -0.177701D+00 -0.112038D+01
               121           122           123           124           125 
      1  -0.870412D+00 -0.138037D+01  0.131342D+01 -0.516953D+01  0.283692D+00
      2  -0.138037D+01 -0.395769D+00  0.531969D+00  0.283692D+00  0.594780D+00
      3   0.131342D+01  0.531969D+00 -0.400680D+00 -0.158570D+01 -0.567639D+00
               126           127           128           129           130 
      1  -0.158570D+01 -0.231258D+01 -0.126238D+01  0.352401D+00 -0.205139D+01
      2  -0.567639D+00 -0.126238D+01  0.372811D+00 -0.705327D+00 -0.144768D+01
      3  -0.553243D+00  0.352401D+00 -0.705327D+00  0.120699D+01  0.166671D+01
               131           132           133           134           135 
      1  -0.144768D+01  0.166671D+01  0.988196D+00  0.159243D+01 -0.119605D+01
      2  -0.394735D+01  0.347385D+01  0.159243D+01  0.448066D+01 -0.381266D+01
      3   0.347385D+01 -0.382309D+01 -0.119605D+01 -0.381266D+01  0.473293D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237013D+01 -0.425413D+01 -0.433457D+01 -0.472598D+00 -0.123265D+02
      2   0.103173D+01 -0.536937D+00  0.240615D+01 -0.545169D+01  0.692458D+01
      3   0.387432D+01  0.436054D+01  0.583597D+01  0.616592D+01  0.295063D+01
                 6             7             8             9            10 
      1  -0.965640D+01 -0.248696D+01  0.907724D+01  0.138736D+02 -0.181892D-03
      2   0.554605D+01 -0.264012D+01 -0.148850D+01 -0.978508D+01  0.848148D+01
      3   0.104330D+01  0.429294D+01 -0.126381D+01 -0.957197D+00  0.525211D-03
                11            12            13            14            15 
      1   0.320964D+00  0.141492D-04 -0.123705D+02  0.196190D-04 -0.250497D+01
      2  -0.104549D-04  0.112390D+02 -0.324453D-04 -0.381055D+01 -0.567085D-04
      3  -0.188523D+02 -0.243219D-04  0.220544D+02  0.767584D-04 -0.116672D+01
                16            17            18            19            20 
      1  -0.163887D-03  0.946069D+00 -0.102558D-05 -0.113752D+01  0.356498D+01
      2  -0.246899D+02 -0.150202D-03  0.224447D+01  0.686554D+00  0.224268D+01
      3   0.000000D+00 -0.470021D+01 -0.130816D-04  0.359134D+00  0.787596D+01
                21            22            23            24            25 
      1  -0.658439D+01  0.379261D+01 -0.888663D+01 -0.173250D+01 -0.106625D+02
      2  -0.577417D+01  0.953421D+00 -0.397930D+01  0.378712D+01 -0.179923D+02
      3  -0.650089D+01  0.230650D+02 -0.194199D+02  0.242180D+01  0.361862D-01
                26            27            28            29            30 
      1   0.521433D+01  0.516159D+01 -0.641407D+01 -0.347358D+01  0.596522D+01
      2   0.264843D+01  0.539826D+01 -0.169972D+02  0.575162D+01  0.116355D+02
      3   0.129227D+01  0.614916D+01  0.115464D+02 -0.147920D+02 -0.120992D+00
                31            32            33            34            35 
      1  -0.266743D+01  0.343607D+01 -0.318877D+01  0.164590D+01  0.445432D+01
      2  -0.380636D+01  0.975710D+01  0.375718D+01  0.137596D+01  0.763034D+01
      3  -0.112076D+02  0.158002D+02 -0.930732D+01  0.847620D+01 -0.867938D+01
                36            37            38            39            40 
      1   0.161472D+01 -0.237016D+01 -0.425432D+01  0.433447D+01 -0.472767D+00
      2  -0.345312D+01  0.103164D+01  0.536721D+00  0.240634D+01  0.545138D+01
      3  -0.903793D+01 -0.387435D+01  0.436085D+01 -0.583581D+01  0.616613D+01
                41            42            43            44            45 
      1   0.123265D+02 -0.965570D+01  0.248685D+01  0.907798D+01 -0.138738D+02
      2   0.692465D+01 -0.554557D+01 -0.263966D+01  0.148930D+01 -0.978560D+01
      3  -0.295055D+01  0.104313D+01 -0.429276D+01 -0.126380D+01  0.956823D+00
                46            47            48            49            50 
      1   0.113784D+01  0.356479D+01  0.658443D+01  0.379250D+01  0.888669D+01
      2   0.686740D+00 -0.224239D+01 -0.577431D+01 -0.953009D+00 -0.397915D+01
      3  -0.359803D+00  0.787548D+01  0.650080D+01  0.230648D+02  0.194197D+02
                51            52            53            54            55 
      1  -0.173220D+01  0.106626D+02  0.521462D+01 -0.516155D+01  0.641398D+01
      2  -0.378751D+01 -0.179927D+02 -0.264889D+01  0.539861D+01 -0.169972D+02
      3   0.242213D+01 -0.362224D-01  0.129270D+01 -0.614894D+01 -0.115462D+02
                56            57            58            59            60 
      1  -0.347334D+01 -0.596536D+01 -0.266728D+01 -0.343613D+01 -0.318885D+01
      2  -0.575215D+01  0.116357D+02  0.380593D+01  0.975716D+01 -0.375676D+01
      3  -0.147921D+02  0.121309D+00 -0.112074D+02 -0.157997D+02 -0.930774D+01
                61            62            63            64            65 
      1  -0.164600D+01  0.445434D+01 -0.161456D+01 -0.188439D+01  0.397725D+01
      2   0.137672D+01 -0.762982D+01 -0.345389D+01 -0.296631D+01  0.115224D+01
      3  -0.847607D+01 -0.867987D+01  0.903764D+01  0.229773D+01 -0.359858D+01
                66            67            68            69            70 
      1  -0.597860D+00  0.274091D+01 -0.127952D+02 -0.152998D+01 -0.732471D-01
      2   0.137392D+01  0.215245D+01 -0.115849D+01 -0.154558D+01  0.824649D-01
      3   0.104868D+01  0.271909D+01  0.920304D+01 -0.237829D+01  0.128087D+01
                71            72            73            74            75 
      1  -0.240755D+01  0.391969D+00  0.180598D+01 -0.337670D+00 -0.123326D+01
      2  -0.219504D+01  0.152478D+01  0.298271D+01 -0.626400D+00 -0.465204D+00
      3   0.231935D+00  0.936424D+00 -0.130291D+01 -0.167094D+01  0.224284D+00
                76            77            78            79            80 
      1   0.962125D-01 -0.118245D+00  0.384744D+01  0.538517D+00  0.226861D+01
      2  -0.977432D+00  0.110978D+01  0.312799D+01 -0.422569D+01 -0.290542D+01
      3  -0.671222D+00  0.748991D-01 -0.172773D+01 -0.358228D+01 -0.205121D+01
                81            82            83            84            85 
      1   0.131755D+02  0.188436D+01  0.397718D+01  0.597966D+00  0.274084D+01
      2   0.141413D+02 -0.296622D+01 -0.115217D+01  0.137390D+01 -0.215245D+01
      3   0.361709D+00 -0.229774D+01 -0.359854D+01 -0.104872D+01  0.271914D+01
                86            87            88            89            90 
      1   0.127953D+02 -0.152971D+01  0.733012D-01 -0.240720D+01 -0.392061D+00
      2  -0.115833D+01  0.154559D+01  0.824481D-01  0.219493D+01  0.152485D+01
      3  -0.920291D+01 -0.237842D+01 -0.128076D+01  0.231806D+00 -0.936426D+00
                91            92            93            94            95 
      1  -0.180598D+01 -0.337725D+00  0.123323D+01  0.961861D-01  0.118054D+00
      2   0.298262D+01  0.626498D+00 -0.465124D+00  0.977547D+00  0.110977D+01
      3   0.130299D+01 -0.167091D+01 -0.224359D+00 -0.671275D+00 -0.747409D-01
                96            97            98            99           100 
      1   0.384782D+01 -0.538473D+00  0.226900D+01 -0.131753D+02  0.118892D+01
      2  -0.312833D+01 -0.422572D+01  0.290504D+01  0.141411D+02 -0.120431D+01
      3  -0.172777D+01  0.358212D+01 -0.205111D+01 -0.361408D+00  0.197839D+01
               101           102           103           104           105 
      1  -0.207666D-01 -0.237131D+01  0.392258D+01 -0.145901D+01 -0.536858D+01
      2  -0.237384D+01 -0.266383D+01  0.974273D+00 -0.825611D+01 -0.950342D+01
      3   0.171388D+01  0.263230D+01 -0.139769D+01  0.946144D+01  0.890461D+01
               106           107           108           109           110 
      1  -0.129882D+01  0.165500D+01 -0.490092D+01  0.329853D+01  0.383600D+00
      2   0.205206D+01 -0.107987D+02 -0.113980D+02  0.111031D+02 -0.303349D+01
      3  -0.195100D+01  0.119396D+02  0.105030D+02 -0.517656D+01 -0.537378D+01
               111           112           113           114           115 
      1   0.119287D+01 -0.103956D+00  0.364850D+00 -0.184774D+00  0.204957D+01
      2   0.693337D+01  0.362943D+01 -0.249241D+01 -0.122028D+01  0.328120D+01
      3  -0.898354D+00  0.710541D+00 -0.473440D+00  0.506185D+00 -0.642493D+01
               116           117           118           119           120 
      1   0.175180D+00 -0.259356D+00 -0.329854D+01  0.383578D+00 -0.119291D+01
      2  -0.724795D+00  0.357072D+01  0.111030D+02  0.303360D+01  0.693332D+01
      3   0.880591D+00  0.158432D+01  0.517656D+01 -0.537377D+01  0.898324D+00
               121           122           123           124           125 
      1  -0.103902D+00 -0.364807D+00 -0.184809D+00 -0.204951D+01  0.175132D+00
      2  -0.362928D+01 -0.249243D+01  0.122035D+01  0.328097D+01  0.724725D+00
      3   0.710336D+00  0.473221D+00  0.506269D+00  0.642481D+01  0.880674D+00
               126           127           128           129           130 
      1   0.259348D+00 -0.118891D+01 -0.208189D-01  0.237144D+01  0.392247D+01
      2   0.357078D+01 -0.120435D+01  0.237402D+01 -0.266393D+01 -0.974180D+00
      3  -0.158430D+01 -0.197845D+01  0.171418D+01 -0.263251D+01 -0.139766D+01
               131           132           133           134           135 
      1   0.145913D+01 -0.536865D+01  0.129890D+01  0.165493D+01  0.490081D+01
      2  -0.825626D+01  0.950323D+01  0.205181D+01  0.107986D+02 -0.113974D+02
      3  -0.946196D+01  0.890477D+01  0.195088D+01  0.119398D+02 -0.105029D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.331125D+01  0.109846D+02  0.662437D+01  0.378116D+01  0.556060D+01
      2  -0.633747D+01 -0.166372D+02 -0.113179D+02 -0.651910D+01 -0.224014D+02
      3   0.964872D+01  0.565260D+01  0.469350D+01  0.273794D+01  0.168408D+02
      4   0.384402D+01 -0.733668D+01  0.223159D+01 -0.255111D+01 -0.239557D+02
      5   0.238371D+02  0.763312D+01  0.130472D+02 -0.843263D+00 -0.451057D+01
      6   0.149984D+02 -0.271606D+01  0.218683D+01 -0.420729D+01 -0.497984D+01
                 6             7             8             9            10 
      1  -0.468139D+01 -0.582807D+01  0.113566D+00  0.200549D+02  0.228520D+02
      2  -0.613591D+01 -0.215894D+01  0.563878D+01  0.134390D+02 -0.201983D+01
      3   0.108173D+02  0.798700D+01 -0.575235D+01 -0.334939D+02 -0.208322D+02
      4  -0.523185D+01  0.927638D+01  0.183319D+01  0.161764D+01 -0.554308D-03
      5   0.155653D+01  0.155631D+02  0.427335D+01 -0.368208D+01 -0.479752D+02
      6   0.369247D+01  0.736167D+01  0.633347D+01  0.472761D+00  0.606719D-03
                11            12            13            14            15 
      1  -0.130614D-03  0.155012D+01 -0.156527D-03  0.131294D+01 -0.338729D-04
      2   0.178682D-03  0.591935D+01  0.234232D-03  0.489241D+01  0.152064D-03
      3  -0.480687D-04 -0.746947D+01 -0.777050D-04 -0.620535D+01 -0.118191D-03
      4   0.189954D+02  0.180239D-03 -0.755158D+01  0.126597D-04  0.278456D+01
      5   0.239191D-03  0.955510D+00  0.306292D-03 -0.105060D+02  0.494715D-04
      6  -0.979168D+01 -0.453970D-04 -0.118652D+02  0.296942D-03 -0.337708D+01
                16            17            18            19            20 
      1   0.128466D+02  0.107005D-05 -0.704834D+01 -0.270940D+02  0.546349D+01
      2  -0.201218D+01  0.327860D-03  0.494027D+00  0.978354D+01  0.899957D+01
      3  -0.108344D+02 -0.328930D-03  0.655431D+01  0.173104D+02 -0.144631D+02
      4   0.272306D-03  0.103375D+01 -0.832964D-05  0.243067D+02 -0.287037D+02
      5  -0.278356D+02 -0.108345D-03 -0.633766D+01  0.369025D+02 -0.903460D+01
      6  -0.172249D-03 -0.772729D+01 -0.232253D-03 -0.596299D+01  0.307337D+01
                21            22            23            24            25 
      1   0.118438D+02  0.230296D+02 -0.130025D+02 -0.383548D+01  0.179490D+02
      2  -0.118229D+02 -0.895558D+01  0.193713D+01  0.791924D+01 -0.666885D+01
      3  -0.208585D-01 -0.140741D+02  0.110654D+02 -0.408376D+01 -0.112801D+02
      4  -0.411643D+01 -0.209316D+02  0.332455D+02 -0.227892D+01 -0.208951D+02
      5  -0.209572D+02 -0.181195D+02  0.470294D+01  0.130452D+02 -0.459439D+01
      6   0.542016D+01  0.728973D+01 -0.332186D+01  0.472556D+01  0.669288D+01
                26            27            28            29            30 
      1  -0.851062D+00 -0.146795D+02 -0.144791D+01 -0.516634D+01 -0.283303D+02
      2  -0.599865D+01  0.329247D+01 -0.162381D+01 -0.350669D+01  0.201441D+02
      3   0.684971D+01  0.113870D+02  0.307172D+01  0.867303D+01  0.818615D+01
      4   0.421668D+01  0.111561D+01 -0.104488D+02  0.259658D+02  0.992552D+01
      5   0.642113D+00  0.946487D+01 -0.484998D+02  0.805433D+01  0.263073D+02
      6   0.719234D+01 -0.471617D+01  0.104285D+02 -0.503564D+01 -0.356577D+01
                31            32            33            34            35 
      1  -0.482952D+01  0.124442D+02  0.989110D+01 -0.473787D+02  0.146458D+02
      2  -0.143349D+02  0.163515D+02 -0.535500D+01  0.335018D+02 -0.126531D+02
      3   0.191644D+02 -0.287956D+02 -0.453609D+01  0.138769D+02 -0.199270D+01
      4   0.468773D+02 -0.438192D+02  0.697096D+01  0.678636D+01  0.918364D+01
      5  -0.174516D+01  0.789497D+01  0.536949D+01  0.373319D+02  0.199477D+00
      6  -0.175214D+01 -0.111368D+02 -0.377476D+01 -0.665145D+01 -0.247156D+01
                36            37            38            39            40 
      1   0.228466D+02 -0.331122D+01 -0.109845D+02  0.662389D+01 -0.378094D+01
      2  -0.201374D+02 -0.633683D+01  0.166376D+02 -0.113174D+02  0.651945D+01
      3  -0.270923D+01  0.964805D+01 -0.565307D+01  0.469353D+01 -0.273851D+01
      4   0.178401D+01 -0.384434D+01 -0.733671D+01 -0.223198D+01 -0.255087D+01
      5  -0.167446D+02  0.238371D+02 -0.763359D+01  0.130469D+02  0.842790D+00
      6  -0.901006D+01 -0.149986D+02 -0.271545D+01 -0.218727D+01 -0.420685D+01
                41            42            43            44            45 
      1   0.556071D+01  0.468063D+01 -0.582839D+01 -0.114388D+00  0.200558D+02
      2  -0.224018D+02  0.613490D+01 -0.215832D+01 -0.564008D+01  0.134392D+02
      3   0.168410D+02 -0.108155D+02  0.798671D+01  0.575447D+01 -0.334950D+02
      4   0.239563D+02 -0.523149D+01 -0.927704D+01  0.183369D+01 -0.161717D+01
      5  -0.451010D+01 -0.155654D+01  0.155630D+02 -0.427293D+01 -0.368279D+01
      6   0.497883D+01  0.369279D+01 -0.736186D+01  0.633306D+01 -0.470931D+00
                46            47            48            49            50 
      1  -0.270928D+02 -0.546354D+01  0.118437D+02 -0.230297D+02 -0.130028D+02
      2   0.978279D+01 -0.899945D+01 -0.118228D+02  0.895521D+01  0.193692D+01
      3   0.173100D+02  0.144630D+02 -0.209709D-01  0.140745D+02  0.110659D+02
      4  -0.243055D+02 -0.287035D+02  0.411655D+01 -0.209322D+02 -0.332460D+02
      5   0.369017D+02  0.903471D+01 -0.209568D+02  0.181194D+02  0.470312D+01
      6   0.596226D+01  0.307296D+01 -0.542027D+01  0.728961D+01  0.332124D+01
                51            52            53            54            55 
      1   0.383621D+01  0.179485D+02  0.851605D+00 -0.146800D+02 -0.144898D+01
      2  -0.791966D+01 -0.666826D+01  0.599830D+01  0.329240D+01 -0.162320D+01
      3   0.408345D+01 -0.112803D+02 -0.684990D+01  0.113876D+02  0.307218D+01
      4  -0.227871D+01  0.208952D+02  0.421652D+01 -0.111613D+01  0.104478D+02
      5  -0.130456D+02 -0.459402D+01 -0.642513D+00  0.946516D+01 -0.484992D+02
      6   0.472537D+01 -0.669271D+01  0.719265D+01  0.471625D+01 -0.104285D+02
                56            57            58            59            60 
      1   0.516594D+01 -0.283298D+02  0.482897D+01  0.124444D+02 -0.989193D+01
      2   0.350682D+01  0.201437D+02  0.143349D+02  0.163509D+02  0.535604D+01
      3  -0.867277D+01  0.818606D+01 -0.191639D+02 -0.287954D+02  0.453589D+01
      4   0.259656D+02 -0.992607D+01  0.468765D+02  0.438189D+02  0.697122D+01
      5  -0.805483D+01  0.263073D+02  0.174455D+01  0.789528D+01 -0.536859D+01
      6  -0.503576D+01  0.356625D+01 -0.175184D+01  0.111376D+02 -0.377466D+01
                61            62            63            64            65 
      1  -0.473783D+02 -0.146466D+02  0.228468D+02  0.424003D+01  0.199059D+01
      2   0.335015D+02  0.126541D+02 -0.201377D+02  0.354336D+01 -0.953730D+01
      3   0.138768D+02  0.199255D+01 -0.270905D+01 -0.778339D+01  0.754671D+01
      4  -0.678712D+01  0.918366D+01 -0.178289D+01 -0.112851D+02  0.185840D+02
      5   0.373325D+02 -0.198396D+00 -0.167456D+02  0.896666D+00 -0.497970D+01
      6   0.665207D+01 -0.247130D+01  0.900944D+01 -0.163759D+01  0.572029D+01
                66            67            68            69            70 
      1  -0.224609D+01  0.186617D+01 -0.231135D+02  0.630491D+01 -0.186095D+01
      2   0.309066D+01 -0.103192D+02  0.444913D+02 -0.619146D+01 -0.409862D-01
      3  -0.844568D+00  0.845300D+01 -0.213778D+02 -0.113448D+00  0.190193D+01
      4  -0.426587D+01  0.175290D+02 -0.372381D+02  0.837336D+01  0.146522D+01
      5   0.442811D+01 -0.514354D+01  0.102213D+02 -0.545822D+01  0.732368D+00
      6  -0.253688D+01  0.775625D+01 -0.187217D+02  0.990880D+01 -0.167655D+01
                71            72            73            74            75 
      1   0.593904D+00 -0.531082D+01 -0.383292D+00  0.425540D+00  0.469544D+01
      2   0.549374D+01  0.102027D+01 -0.193492D+01 -0.841939D+00  0.119080D+01
      3  -0.608765D+01  0.429054D+01  0.231821D+01  0.416398D+00 -0.588624D+01
      4  -0.205229D+01 -0.464963D+01  0.822545D+00  0.370968D+01 -0.192563D+01
      5  -0.415309D+01  0.307956D+01 -0.232897D+00 -0.984292D+00  0.608302D+01
      6   0.574054D+01 -0.316711D+01  0.114903D+01 -0.937139D-01  0.122086D+01
                76            77            78            79            80 
      1   0.245549D+01 -0.462275D+01 -0.438443D+01  0.759006D+00  0.765255D+01
      2  -0.227415D+01  0.312621D+01 -0.680615D+01 -0.233784D+01 -0.277647D+00
      3  -0.181335D+00  0.149654D+01  0.111906D+02  0.157883D+01 -0.737491D+01
      4   0.267483D+01 -0.262192D+01  0.344818D+01  0.174865D+00  0.464949D+01
      5   0.224720D+01  0.317638D+01  0.287676D+01  0.661643D+01 -0.397915D+01
      6   0.181563D+01 -0.145168D+01  0.615235D+01 -0.861864D+00  0.814698D+01
                81            82            83            84            85 
      1  -0.344642D+02  0.423998D+01 -0.199060D+01 -0.224616D+01 -0.186614D+01
      2  -0.236869D+02  0.354326D+01  0.953692D+01  0.309077D+01  0.103187D+02
      3   0.581510D+02 -0.778324D+01 -0.754632D+01 -0.844615D+00 -0.845258D+01
      4  -0.326329D+01  0.112849D+02  0.185836D+02  0.426612D+01  0.175287D+02
      5   0.211981D+02  0.896832D+00  0.497995D+01  0.442829D+01  0.514394D+01
      6  -0.135639D+02  0.163781D+01  0.572060D+01  0.253709D+01  0.775662D+01
                86            87            88            89            90 
      1  -0.231135D+02 -0.630535D+01 -0.186105D+01 -0.594324D+00 -0.531096D+01
      2   0.444905D+02  0.619200D+01 -0.407766D-01 -0.549293D+01  0.102018D+01
      3  -0.213770D+02  0.113356D+00  0.190182D+01  0.608725D+01  0.429078D+01
      4   0.372375D+02  0.837391D+01 -0.146486D+01 -0.205159D+01  0.464968D+01
      5   0.102219D+02  0.545856D+01  0.732438D+00  0.415320D+01  0.307981D+01
      6   0.187230D+02  0.990933D+01  0.167669D+01  0.574065D+01  0.316738D+01
                91            92            93            94            95 
      1  -0.383248D+00 -0.425752D+00  0.469530D+01 -0.245551D+01 -0.462260D+01
      2  -0.193484D+01  0.841922D+00  0.119087D+01  0.227411D+01  0.312592D+01
      3   0.231808D+01 -0.416170D+00 -0.588617D+01  0.181395D+00  0.149668D+01
      4  -0.822580D+00  0.370959D+01  0.192554D+01  0.267484D+01  0.262155D+01
      5  -0.232927D+00  0.984196D+00  0.608301D+01 -0.224735D+01  0.317636D+01
      6  -0.114919D+01 -0.936116D-01 -0.122066D+01  0.181569D+01  0.145125D+01
                96            97            98            99           100 
      1   0.438532D+01  0.758960D+00 -0.765163D+01 -0.344638D+02  0.931063D+01
      2   0.680652D+01 -0.233776D+01  0.278043D+00 -0.236872D+02 -0.251821D+01
      3  -0.111918D+02  0.157880D+01  0.737359D+01  0.581510D+02 -0.679242D+01
      4   0.344816D+01 -0.175006D+00  0.464931D+01  0.326282D+01 -0.740493D+01
      5  -0.287719D+01  0.661626D+01  0.397868D+01  0.211978D+02 -0.150000D+01
      6   0.615238D+01  0.861796D+00  0.814637D+01  0.135620D+02  0.181124D+01
               101           102           103           104           105 
      1  -0.845450D+01 -0.602260D+01 -0.359340D+01 -0.116326D+02 -0.101530D+02
      2   0.381832D+01  0.150085D+01  0.310333D+01  0.109941D+02  0.547550D+01
      3   0.463618D+01  0.452175D+01  0.490067D+00  0.638459D+00  0.467754D+01
      4   0.410348D+01  0.100046D+01  0.104929D+02 -0.153269D+02 -0.131539D+02
      5   0.369520D+00 -0.680984D+00  0.886373D+01 -0.139033D+02 -0.167562D+02
      6   0.275607D+01  0.326760D+01 -0.584393D+01  0.170791D+02  0.167363D+02
               106           107           108           109           110 
      1   0.192922D+01 -0.136698D+02 -0.159776D+02  0.883663D+02 -0.132655D+02
      2  -0.324921D+01  0.116883D+02  0.490757D+01 -0.404562D+02  0.396630D+01
      3   0.131999D+01  0.198145D+01  0.110700D+02 -0.479101D+02  0.929916D+01
      4   0.734394D+01 -0.168424D+02 -0.137850D+02 -0.324063D+02  0.160039D+02
      5   0.701580D+01 -0.144655D+02 -0.180608D+02  0.103387D+02 -0.167677D+01
      6  -0.636530D+01  0.180922D+02  0.192498D+02 -0.718246D+01  0.119106D+01
               111           112           113           114           115 
      1   0.966703D+01 -0.487318D+01  0.582749D+01  0.327901D+01  0.295043D+02
      2  -0.424883D+01  0.916689D+00 -0.117896D+01 -0.111257D+01 -0.165437D+02
      3  -0.541820D+01  0.395649D+01 -0.464853D+01 -0.216644D+01 -0.129606D+02
      4  -0.282641D+01  0.105147D+02 -0.326577D+01 -0.176586D+01 -0.253467D+01
      5   0.942703D+01  0.799574D+01 -0.232951D+01 -0.271842D+01  0.120826D+02
      6  -0.352647D+01 -0.137130D+01  0.206777D+01  0.237958D+01 -0.467750D+01
               116           117           118           119           120 
      1  -0.239514D+01  0.563288D+01  0.883663D+02  0.132659D+02  0.966707D+01
      2   0.128628D+01 -0.450360D+01 -0.404561D+02 -0.396642D+01 -0.424889D+01
      3   0.110887D+01 -0.112928D+01 -0.479101D+02 -0.929946D+01 -0.541819D+01
      4  -0.150568D+01 -0.471976D+01  0.324074D+02  0.160044D+02  0.282661D+01
      5  -0.309457D+01  0.566885D+01  0.103390D+02  0.167696D+01  0.942698D+01
      6   0.265407D+01 -0.440957D+00  0.718261D+01  0.119117D+01  0.352650D+01
               121           122           123           124           125 
      1   0.487376D+01  0.582770D+01 -0.327888D+01  0.295042D+02  0.239542D+01
      2  -0.916788D+00 -0.117889D+01  0.111250D+01 -0.165437D+02 -0.128644D+01
      3  -0.395697D+01 -0.464882D+01  0.216638D+01 -0.129605D+02 -0.110898D+01
      4   0.105154D+02  0.326634D+01 -0.176595D+01  0.253513D+01 -0.150566D+01
      5  -0.799561D+01 -0.232961D+01  0.271846D+01  0.120823D+02  0.309447D+01
      6  -0.137129D+01 -0.206780D+01  0.237958D+01  0.467741D+01  0.265408D+01
               126           127           128           129           130 
      1   0.563268D+01  0.931038D+01  0.845484D+01 -0.602269D+01  0.359334D+01
      2  -0.450346D+01 -0.251803D+01 -0.381865D+01  0.150097D+01 -0.310301D+01
      3  -0.112922D+01 -0.679235D+01 -0.463619D+01  0.452172D+01 -0.490330D+00
      4   0.471972D+01  0.740477D+01  0.410330D+01 -0.100021D+01  0.104930D+02
      5   0.566896D+01 -0.149974D+01 -0.369247D+00 -0.681289D+00 -0.886327D+01
      6   0.440988D+00 -0.181111D+01  0.275641D+01 -0.326791D+01 -0.584388D+01
               131           132           133           134           135 
      1  -0.116333D+02  0.101534D+02  0.192914D+01  0.136701D+02 -0.159775D+02
      2   0.109952D+02 -0.547612D+01 -0.324940D+01 -0.116890D+02  0.490817D+01
      3   0.638083D+00 -0.467726D+01  0.132027D+01 -0.198110D+01  0.110693D+02
      4   0.153273D+02 -0.131538D+02 -0.734358D+01 -0.168423D+02  0.137844D+02
      5  -0.139032D+02  0.167557D+02  0.701510D+01  0.144649D+02 -0.180596D+02
      6  -0.170795D+02  0.167363D+02  0.636488D+01  0.180920D+02 -0.192492D+02
 Leave Link  716 at Thu Jul 22 18:20:33 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121660D+03 -0.553205D-05 -0.449015D+01
      2  -0.553205D-05  0.836483D+02 -0.194382D-04
      3  -0.449015D+01 -0.194382D-04  0.762644D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.567664D+01 -0.841713D-04  0.457402D+01
      2   0.370980D-04  0.204544D+02  0.284139D-03
      3   0.365771D+02  0.427072D-03 -0.165370D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.107047D-02 -0.802478D+02 -0.891353D-03
      2  -0.161050D-02  0.293370D+02  0.252766D-03
      3   0.540025D-03  0.509108D+02  0.638587D-03
      4  -0.114580D+03 -0.148458D-02  0.621789D+02
      5  -0.984152D-03  0.637919D+02  0.127013D-02
      6   0.429965D+02 -0.129734D-03  0.412472D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.115140D+02  0.477106D+01  0.624645D+01 -0.326666D+01 -0.157684D+01
      2   0.477106D+01 -0.261799D+01  0.282653D+00 -0.157684D+01 -0.470620D+01
      3   0.624645D+01  0.282653D+00  0.202833D+01 -0.262111D-02 -0.112733D+00
                 6             7             8             9            10 
      1  -0.262111D-02  0.371644D+01  0.309142D+01  0.238257D+01  0.679950D-03
      2  -0.112733D+00  0.309142D+01  0.196416D+01  0.500942D+00 -0.116726D+02
      3   0.240122D+01  0.238257D+01  0.500942D+00 -0.514742D+01 -0.121765D-03
                11            12            13            14            15 
      1  -0.116726D+02 -0.121765D-03 -0.852637D+01  0.173601D-03 -0.525177D+01
      2   0.653898D-04 -0.141464D+01  0.173601D-03 -0.149279D+01  0.505978D-05
      3  -0.141464D+01  0.378870D-05 -0.525177D+01  0.505978D-05 -0.111812D+01
                16            17            18            19            20 
      1  -0.152542D-03 -0.766882D+01 -0.143355D-03 -0.119093D+02  0.791902D+01
      2  -0.766882D+01 -0.729329D-05 -0.138965D+01  0.791902D+01 -0.607662D+01
      3  -0.143355D-03 -0.138965D+01 -0.104723D-03  0.333052D+01 -0.551678D+00
                21            22            23            24            25 
      1   0.333052D+01  0.155161D+02 -0.518247D+01  0.438223D-01  0.124884D+02
      2  -0.551678D+00 -0.518247D+01  0.693112D+01 -0.168519D+00 -0.520715D+00
      3  -0.352649D+01  0.438223D-01 -0.168519D+00  0.110443D+01 -0.103832D+01
                26            27            28            29            30 
      1  -0.520715D+00 -0.103832D+01  0.597041D+01 -0.432780D+01 -0.733852D+01
      2   0.702543D+00  0.474484D+00 -0.432780D+01  0.492735D+01  0.110250D+01
      3   0.474484D+00  0.265651D+01 -0.733852D+01  0.110250D+01  0.443159D+01
                31            32            33            34            35 
      1  -0.832894D+01  0.847067D+01 -0.128519D+01 -0.128457D+02  0.102711D+00
      2   0.847067D+01 -0.917431D+01  0.250124D+01  0.102711D+00  0.295780D+01
      3  -0.128519D+01  0.250124D+01  0.146780D+01  0.566902D+01  0.909027D+00
                36            37            38            39            40 
      1   0.566902D+01 -0.115142D+02  0.477120D+01 -0.624632D+01 -0.326662D+01
      2   0.909027D+00  0.477120D+01  0.261798D+01  0.282787D+00  0.157675D+01
      3  -0.237425D+01 -0.624632D+01  0.282787D+00 -0.202835D+01 -0.251685D-02
                41            42            43            44            45 
      1   0.157675D+01 -0.251685D-02 -0.371638D+01  0.309156D+01 -0.238255D+01
      2  -0.470626D+01  0.112655D+00  0.309156D+01 -0.196418D+01  0.500594D+00
      3   0.112655D+00  0.240098D+01 -0.238255D+01  0.500594D+00  0.514777D+01
                46            47            48            49            50 
      1   0.119082D+02  0.791894D+01 -0.333038D+01  0.155161D+02  0.518245D+01
      2   0.791894D+01  0.607659D+01 -0.551674D+00  0.518245D+01  0.693129D+01
      3  -0.333038D+01 -0.551674D+00  0.352645D+01  0.438088D-01  0.168472D+00
                51            52            53            54            55 
      1   0.438088D-01 -0.124882D+02 -0.520713D+00  0.103841D+01 -0.596982D+01
      2   0.168472D+00 -0.520713D+00 -0.702587D+00  0.474657D+00 -0.432776D+01
      3   0.110459D+01  0.103841D+01  0.474657D+00 -0.265668D+01  0.733844D+01
                56            57            58            59            60 
      1  -0.432776D+01  0.733844D+01 -0.832883D+01 -0.847061D+01 -0.128509D+01
      2  -0.492737D+01  0.110263D+01 -0.847061D+01 -0.917426D+01 -0.250135D+01
      3   0.110263D+01 -0.443165D+01 -0.128509D+01 -0.250135D+01  0.146761D+01
                61            62            63            64            65 
      1   0.128456D+02  0.102823D+00 -0.566915D+01 -0.985734D+00  0.170433D+01
      2   0.102823D+00 -0.295789D+01  0.908811D+00  0.170433D+01 -0.326811D+01
      3  -0.566915D+01  0.908811D+00  0.237444D+01  0.927222D-01  0.869345D+00
                66            67            68            69            70 
      1   0.927222D-01  0.394566D+01 -0.341817D+01  0.891841D+00  0.183042D+01
      2   0.869345D+00 -0.341817D+01  0.113323D+02 -0.241844D+01 -0.397710D+00
      3  -0.781252D+00  0.891841D+00 -0.241844D+01  0.172033D+01 -0.449088D+00
                71            72            73            74            75 
      1  -0.397710D+00 -0.449088D+00  0.109050D+01 -0.108622D+00 -0.400450D+00
      2   0.802146D+00  0.129983D+01 -0.108622D+00 -0.448427D+00 -0.112708D+00
      3   0.129983D+01 -0.127415D+01 -0.400450D+00 -0.112708D+00  0.118585D+01
                76            77            78            79            80 
      1  -0.681293D+00 -0.563895D+00 -0.226551D-02 -0.207691D+01 -0.317640D+00
      2  -0.563895D+00  0.706483D+00 -0.121792D+01 -0.317640D+00 -0.184728D+01
      3  -0.226551D-02 -0.121792D+01 -0.191069D+01 -0.850982D+00  0.189122D+01
                81            82            83            84            85 
      1  -0.850982D+00  0.985702D+00  0.170431D+01 -0.926961D-01  0.394569D+01
      2   0.189122D+01  0.170431D+01  0.326803D+01  0.869393D+00  0.341814D+01
      3  -0.118641D+02 -0.926961D-01  0.869393D+00  0.781284D+00  0.891901D+00
                86            87            88            89            90 
      1   0.341814D+01  0.891901D+00 -0.183031D+01 -0.397633D+00  0.449101D+00
      2   0.113322D+02  0.241863D+01 -0.397633D+00 -0.801938D+00  0.129984D+01
      3   0.241863D+01  0.172042D+01  0.449101D+00  0.129984D+01  0.127422D+01
                91            92            93            94            95 
      1  -0.109048D+01 -0.108642D+00  0.400428D+00 -0.681321D+00  0.563902D+00
      2  -0.108642D+00  0.448444D+00 -0.112658D+00  0.563902D+00  0.706343D+00
      3   0.400428D+00 -0.112658D+00 -0.118584D+01 -0.227376D-02  0.121792D+01
                96            97            98            99           100 
      1  -0.227376D-02  0.207689D+01 -0.317647D+00  0.850958D+00  0.231262D+01
      2   0.121792D+01 -0.317647D+00  0.184718D+01  0.189093D+01 -0.126239D+01
      3  -0.191097D+01  0.850958D+00  0.189093D+01  0.118640D+02 -0.352430D+00
               101           102           103           104           105 
      1  -0.126239D+01 -0.352430D+00 -0.205140D+01  0.144766D+01  0.166678D+01
      2  -0.372716D+00 -0.705256D+00  0.144766D+01 -0.394716D+01 -0.347381D+01
      3  -0.705256D+00 -0.120694D+01  0.166678D+01 -0.347381D+01 -0.382317D+01
               106           107           108           109           110 
      1  -0.988224D+00  0.159249D+01  0.119618D+01  0.142713D+02 -0.285930D+01
      2   0.159249D+01 -0.448061D+01 -0.381274D+01 -0.285930D+01  0.170665D+01
      3   0.119618D+01 -0.381274D+01 -0.473317D+01  0.159402D+01 -0.177665D+00
               111           112           113           114           115 
      1   0.159402D+01 -0.870271D+00  0.138028D+01  0.131344D+01  0.516949D+01
      2  -0.177665D+00  0.138028D+01 -0.395686D+00 -0.531948D+00  0.283744D+00
      3   0.112040D+01  0.131344D+01 -0.531948D+00 -0.400675D+00  0.158574D+01
               116           117           118           119           120 
      1   0.283744D+00  0.158574D+01 -0.142714D+02 -0.285939D+01 -0.159405D+01
      2  -0.594770D+00 -0.567657D+00 -0.285939D+01 -0.170668D+01 -0.177701D+00
      3  -0.567657D+00  0.553223D+00 -0.159405D+01 -0.177701D+00 -0.112038D+01
               121           122           123           124           125 
      1  -0.870412D+00 -0.138037D+01  0.131342D+01 -0.516953D+01  0.283692D+00
      2  -0.138037D+01 -0.395769D+00  0.531969D+00  0.283692D+00  0.594780D+00
      3   0.131342D+01  0.531969D+00 -0.400680D+00 -0.158570D+01 -0.567639D+00
               126           127           128           129           130 
      1  -0.158570D+01 -0.231258D+01 -0.126238D+01  0.352401D+00 -0.205139D+01
      2  -0.567639D+00 -0.126238D+01  0.372811D+00 -0.705327D+00 -0.144768D+01
      3  -0.553243D+00  0.352401D+00 -0.705327D+00  0.120699D+01  0.166671D+01
               131           132           133           134           135 
      1  -0.144768D+01  0.166671D+01  0.988196D+00  0.159243D+01 -0.119605D+01
      2  -0.394735D+01  0.347385D+01  0.159243D+01  0.448066D+01 -0.381266D+01
      3   0.347385D+01 -0.382309D+01 -0.119605D+01 -0.381266D+01  0.473293D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237013D+01 -0.425413D+01 -0.433457D+01 -0.472598D+00 -0.123265D+02
      2   0.103173D+01 -0.536937D+00  0.240615D+01 -0.545169D+01  0.692458D+01
      3   0.387432D+01  0.436054D+01  0.583597D+01  0.616592D+01  0.295063D+01
                 6             7             8             9            10 
      1  -0.965640D+01 -0.248696D+01  0.907724D+01  0.138736D+02 -0.181892D-03
      2   0.554605D+01 -0.264012D+01 -0.148850D+01 -0.978508D+01  0.848148D+01
      3   0.104330D+01  0.429294D+01 -0.126381D+01 -0.957197D+00  0.525211D-03
                11            12            13            14            15 
      1   0.320964D+00  0.141492D-04 -0.123705D+02  0.196190D-04 -0.250497D+01
      2  -0.104549D-04  0.112390D+02 -0.324453D-04 -0.381055D+01 -0.567085D-04
      3  -0.188523D+02 -0.243219D-04  0.220544D+02  0.767584D-04 -0.116672D+01
                16            17            18            19            20 
      1  -0.163887D-03  0.946069D+00 -0.102558D-05 -0.113752D+01  0.356498D+01
      2  -0.246899D+02 -0.150202D-03  0.224447D+01  0.686554D+00  0.224268D+01
      3   0.000000D+00 -0.470021D+01 -0.130816D-04  0.359134D+00  0.787596D+01
                21            22            23            24            25 
      1  -0.658439D+01  0.379261D+01 -0.888663D+01 -0.173250D+01 -0.106625D+02
      2  -0.577417D+01  0.953421D+00 -0.397930D+01  0.378712D+01 -0.179923D+02
      3  -0.650089D+01  0.230650D+02 -0.194199D+02  0.242180D+01  0.361862D-01
                26            27            28            29            30 
      1   0.521433D+01  0.516159D+01 -0.641407D+01 -0.347358D+01  0.596522D+01
      2   0.264843D+01  0.539826D+01 -0.169972D+02  0.575162D+01  0.116355D+02
      3   0.129227D+01  0.614916D+01  0.115464D+02 -0.147920D+02 -0.120992D+00
                31            32            33            34            35 
      1  -0.266743D+01  0.343607D+01 -0.318877D+01  0.164590D+01  0.445432D+01
      2  -0.380636D+01  0.975710D+01  0.375718D+01  0.137596D+01  0.763034D+01
      3  -0.112076D+02  0.158002D+02 -0.930732D+01  0.847620D+01 -0.867938D+01
                36            37            38            39            40 
      1   0.161472D+01 -0.237016D+01 -0.425432D+01  0.433447D+01 -0.472767D+00
      2  -0.345312D+01  0.103164D+01  0.536721D+00  0.240634D+01  0.545138D+01
      3  -0.903793D+01 -0.387435D+01  0.436085D+01 -0.583581D+01  0.616613D+01
                41            42            43            44            45 
      1   0.123265D+02 -0.965570D+01  0.248685D+01  0.907798D+01 -0.138738D+02
      2   0.692465D+01 -0.554557D+01 -0.263966D+01  0.148930D+01 -0.978560D+01
      3  -0.295055D+01  0.104313D+01 -0.429276D+01 -0.126380D+01  0.956823D+00
                46            47            48            49            50 
      1   0.113784D+01  0.356479D+01  0.658443D+01  0.379250D+01  0.888669D+01
      2   0.686740D+00 -0.224239D+01 -0.577431D+01 -0.953009D+00 -0.397915D+01
      3  -0.359803D+00  0.787548D+01  0.650080D+01  0.230648D+02  0.194197D+02
                51            52            53            54            55 
      1  -0.173220D+01  0.106626D+02  0.521462D+01 -0.516155D+01  0.641398D+01
      2  -0.378751D+01 -0.179927D+02 -0.264889D+01  0.539861D+01 -0.169972D+02
      3   0.242213D+01 -0.362224D-01  0.129270D+01 -0.614894D+01 -0.115462D+02
                56            57            58            59            60 
      1  -0.347334D+01 -0.596536D+01 -0.266728D+01 -0.343613D+01 -0.318885D+01
      2  -0.575215D+01  0.116357D+02  0.380593D+01  0.975716D+01 -0.375676D+01
      3  -0.147921D+02  0.121309D+00 -0.112074D+02 -0.157997D+02 -0.930774D+01
                61            62            63            64            65 
      1  -0.164600D+01  0.445434D+01 -0.161456D+01 -0.188439D+01  0.397725D+01
      2   0.137672D+01 -0.762982D+01 -0.345389D+01 -0.296631D+01  0.115224D+01
      3  -0.847607D+01 -0.867987D+01  0.903764D+01  0.229773D+01 -0.359858D+01
                66            67            68            69            70 
      1  -0.597860D+00  0.274091D+01 -0.127952D+02 -0.152998D+01 -0.732471D-01
      2   0.137392D+01  0.215245D+01 -0.115849D+01 -0.154558D+01  0.824649D-01
      3   0.104868D+01  0.271909D+01  0.920304D+01 -0.237829D+01  0.128087D+01
                71            72            73            74            75 
      1  -0.240755D+01  0.391969D+00  0.180598D+01 -0.337670D+00 -0.123326D+01
      2  -0.219504D+01  0.152478D+01  0.298271D+01 -0.626400D+00 -0.465204D+00
      3   0.231935D+00  0.936424D+00 -0.130291D+01 -0.167094D+01  0.224284D+00
                76            77            78            79            80 
      1   0.962125D-01 -0.118245D+00  0.384744D+01  0.538517D+00  0.226861D+01
      2  -0.977432D+00  0.110978D+01  0.312799D+01 -0.422569D+01 -0.290542D+01
      3  -0.671222D+00  0.748991D-01 -0.172773D+01 -0.358228D+01 -0.205121D+01
                81            82            83            84            85 
      1   0.131755D+02  0.188436D+01  0.397718D+01  0.597966D+00  0.274084D+01
      2   0.141413D+02 -0.296622D+01 -0.115217D+01  0.137390D+01 -0.215245D+01
      3   0.361709D+00 -0.229774D+01 -0.359854D+01 -0.104872D+01  0.271914D+01
                86            87            88            89            90 
      1   0.127953D+02 -0.152971D+01  0.733012D-01 -0.240720D+01 -0.392061D+00
      2  -0.115833D+01  0.154559D+01  0.824481D-01  0.219493D+01  0.152485D+01
      3  -0.920291D+01 -0.237842D+01 -0.128076D+01  0.231806D+00 -0.936426D+00
                91            92            93            94            95 
      1  -0.180598D+01 -0.337725D+00  0.123323D+01  0.961861D-01  0.118054D+00
      2   0.298262D+01  0.626498D+00 -0.465124D+00  0.977547D+00  0.110977D+01
      3   0.130299D+01 -0.167091D+01 -0.224359D+00 -0.671275D+00 -0.747409D-01
                96            97            98            99           100 
      1   0.384782D+01 -0.538473D+00  0.226900D+01 -0.131753D+02  0.118892D+01
      2  -0.312833D+01 -0.422572D+01  0.290504D+01  0.141411D+02 -0.120431D+01
      3  -0.172777D+01  0.358212D+01 -0.205111D+01 -0.361408D+00  0.197839D+01
               101           102           103           104           105 
      1  -0.207666D-01 -0.237131D+01  0.392258D+01 -0.145901D+01 -0.536858D+01
      2  -0.237384D+01 -0.266383D+01  0.974273D+00 -0.825611D+01 -0.950342D+01
      3   0.171388D+01  0.263230D+01 -0.139769D+01  0.946144D+01  0.890461D+01
               106           107           108           109           110 
      1  -0.129882D+01  0.165500D+01 -0.490092D+01  0.329853D+01  0.383600D+00
      2   0.205206D+01 -0.107987D+02 -0.113980D+02  0.111031D+02 -0.303349D+01
      3  -0.195100D+01  0.119396D+02  0.105030D+02 -0.517656D+01 -0.537378D+01
               111           112           113           114           115 
      1   0.119287D+01 -0.103956D+00  0.364850D+00 -0.184774D+00  0.204957D+01
      2   0.693337D+01  0.362943D+01 -0.249241D+01 -0.122028D+01  0.328120D+01
      3  -0.898354D+00  0.710541D+00 -0.473440D+00  0.506185D+00 -0.642493D+01
               116           117           118           119           120 
      1   0.175180D+00 -0.259356D+00 -0.329854D+01  0.383578D+00 -0.119291D+01
      2  -0.724795D+00  0.357072D+01  0.111030D+02  0.303360D+01  0.693332D+01
      3   0.880591D+00  0.158432D+01  0.517656D+01 -0.537377D+01  0.898324D+00
               121           122           123           124           125 
      1  -0.103902D+00 -0.364807D+00 -0.184809D+00 -0.204951D+01  0.175132D+00
      2  -0.362928D+01 -0.249243D+01  0.122035D+01  0.328097D+01  0.724725D+00
      3   0.710336D+00  0.473221D+00  0.506269D+00  0.642481D+01  0.880674D+00
               126           127           128           129           130 
      1   0.259348D+00 -0.118891D+01 -0.208189D-01  0.237144D+01  0.392247D+01
      2   0.357078D+01 -0.120435D+01  0.237402D+01 -0.266393D+01 -0.974180D+00
      3  -0.158430D+01 -0.197845D+01  0.171418D+01 -0.263251D+01 -0.139766D+01
               131           132           133           134           135 
      1   0.145913D+01 -0.536865D+01  0.129890D+01  0.165493D+01  0.490081D+01
      2  -0.825626D+01  0.950323D+01  0.205181D+01  0.107986D+02 -0.113974D+02
      3  -0.946196D+01  0.890477D+01  0.195088D+01  0.119398D+02 -0.105029D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.331125D+01  0.109846D+02  0.662437D+01  0.378116D+01  0.556060D+01
      2  -0.633747D+01 -0.166372D+02 -0.113179D+02 -0.651910D+01 -0.224014D+02
      3   0.964872D+01  0.565260D+01  0.469350D+01  0.273794D+01  0.168408D+02
      4   0.384402D+01 -0.733668D+01  0.223159D+01 -0.255111D+01 -0.239557D+02
      5   0.238371D+02  0.763312D+01  0.130472D+02 -0.843263D+00 -0.451057D+01
      6   0.149984D+02 -0.271606D+01  0.218683D+01 -0.420729D+01 -0.497984D+01
                 6             7             8             9            10 
      1  -0.468139D+01 -0.582807D+01  0.113566D+00  0.200549D+02  0.228520D+02
      2  -0.613591D+01 -0.215894D+01  0.563878D+01  0.134390D+02 -0.201983D+01
      3   0.108173D+02  0.798700D+01 -0.575235D+01 -0.334939D+02 -0.208322D+02
      4  -0.523185D+01  0.927638D+01  0.183319D+01  0.161764D+01 -0.554308D-03
      5   0.155653D+01  0.155631D+02  0.427335D+01 -0.368208D+01 -0.479752D+02
      6   0.369247D+01  0.736167D+01  0.633347D+01  0.472761D+00  0.606719D-03
                11            12            13            14            15 
      1  -0.130614D-03  0.155012D+01 -0.156527D-03  0.131294D+01 -0.338729D-04
      2   0.178682D-03  0.591935D+01  0.234232D-03  0.489241D+01  0.152064D-03
      3  -0.480687D-04 -0.746947D+01 -0.777050D-04 -0.620535D+01 -0.118191D-03
      4   0.189954D+02  0.180239D-03 -0.755158D+01  0.126597D-04  0.278456D+01
      5   0.239191D-03  0.955510D+00  0.306292D-03 -0.105060D+02  0.494715D-04
      6  -0.979168D+01 -0.453970D-04 -0.118652D+02  0.296942D-03 -0.337708D+01
                16            17            18            19            20 
      1   0.128466D+02  0.107005D-05 -0.704834D+01 -0.270940D+02  0.546349D+01
      2  -0.201218D+01  0.327860D-03  0.494027D+00  0.978354D+01  0.899957D+01
      3  -0.108344D+02 -0.328930D-03  0.655431D+01  0.173104D+02 -0.144631D+02
      4   0.272306D-03  0.103375D+01 -0.832964D-05  0.243067D+02 -0.287037D+02
      5  -0.278356D+02 -0.108345D-03 -0.633766D+01  0.369025D+02 -0.903460D+01
      6  -0.172249D-03 -0.772729D+01 -0.232253D-03 -0.596299D+01  0.307337D+01
                21            22            23            24            25 
      1   0.118438D+02  0.230296D+02 -0.130025D+02 -0.383548D+01  0.179490D+02
      2  -0.118229D+02 -0.895558D+01  0.193713D+01  0.791924D+01 -0.666885D+01
      3  -0.208585D-01 -0.140741D+02  0.110654D+02 -0.408376D+01 -0.112801D+02
      4  -0.411643D+01 -0.209316D+02  0.332455D+02 -0.227892D+01 -0.208951D+02
      5  -0.209572D+02 -0.181195D+02  0.470294D+01  0.130452D+02 -0.459439D+01
      6   0.542016D+01  0.728973D+01 -0.332186D+01  0.472556D+01  0.669288D+01
                26            27            28            29            30 
      1  -0.851062D+00 -0.146795D+02 -0.144791D+01 -0.516634D+01 -0.283303D+02
      2  -0.599865D+01  0.329247D+01 -0.162381D+01 -0.350669D+01  0.201441D+02
      3   0.684971D+01  0.113870D+02  0.307172D+01  0.867303D+01  0.818615D+01
      4   0.421668D+01  0.111561D+01 -0.104488D+02  0.259658D+02  0.992552D+01
      5   0.642113D+00  0.946487D+01 -0.484998D+02  0.805433D+01  0.263073D+02
      6   0.719234D+01 -0.471617D+01  0.104285D+02 -0.503564D+01 -0.356577D+01
                31            32            33            34            35 
      1  -0.482952D+01  0.124442D+02  0.989110D+01 -0.473787D+02  0.146458D+02
      2  -0.143349D+02  0.163515D+02 -0.535500D+01  0.335018D+02 -0.126531D+02
      3   0.191644D+02 -0.287956D+02 -0.453609D+01  0.138769D+02 -0.199270D+01
      4   0.468773D+02 -0.438192D+02  0.697096D+01  0.678636D+01  0.918364D+01
      5  -0.174516D+01  0.789497D+01  0.536949D+01  0.373319D+02  0.199477D+00
      6  -0.175214D+01 -0.111368D+02 -0.377476D+01 -0.665145D+01 -0.247156D+01
                36            37            38            39            40 
      1   0.228466D+02 -0.331122D+01 -0.109845D+02  0.662389D+01 -0.378094D+01
      2  -0.201374D+02 -0.633683D+01  0.166376D+02 -0.113174D+02  0.651945D+01
      3  -0.270923D+01  0.964805D+01 -0.565307D+01  0.469353D+01 -0.273851D+01
      4   0.178401D+01 -0.384434D+01 -0.733671D+01 -0.223198D+01 -0.255087D+01
      5  -0.167446D+02  0.238371D+02 -0.763359D+01  0.130469D+02  0.842790D+00
      6  -0.901006D+01 -0.149986D+02 -0.271545D+01 -0.218727D+01 -0.420685D+01
                41            42            43            44            45 
      1   0.556071D+01  0.468063D+01 -0.582839D+01 -0.114388D+00  0.200558D+02
      2  -0.224018D+02  0.613490D+01 -0.215832D+01 -0.564008D+01  0.134392D+02
      3   0.168410D+02 -0.108155D+02  0.798671D+01  0.575447D+01 -0.334950D+02
      4   0.239563D+02 -0.523149D+01 -0.927704D+01  0.183369D+01 -0.161717D+01
      5  -0.451010D+01 -0.155654D+01  0.155630D+02 -0.427293D+01 -0.368279D+01
      6   0.497883D+01  0.369279D+01 -0.736186D+01  0.633306D+01 -0.470931D+00
                46            47            48            49            50 
      1  -0.270928D+02 -0.546354D+01  0.118437D+02 -0.230297D+02 -0.130028D+02
      2   0.978279D+01 -0.899945D+01 -0.118228D+02  0.895521D+01  0.193692D+01
      3   0.173100D+02  0.144630D+02 -0.209709D-01  0.140745D+02  0.110659D+02
      4  -0.243055D+02 -0.287035D+02  0.411655D+01 -0.209322D+02 -0.332460D+02
      5   0.369017D+02  0.903471D+01 -0.209568D+02  0.181194D+02  0.470312D+01
      6   0.596226D+01  0.307296D+01 -0.542027D+01  0.728961D+01  0.332124D+01
                51            52            53            54            55 
      1   0.383621D+01  0.179485D+02  0.851605D+00 -0.146800D+02 -0.144898D+01
      2  -0.791966D+01 -0.666826D+01  0.599830D+01  0.329240D+01 -0.162320D+01
      3   0.408345D+01 -0.112803D+02 -0.684990D+01  0.113876D+02  0.307218D+01
      4  -0.227871D+01  0.208952D+02  0.421652D+01 -0.111613D+01  0.104478D+02
      5  -0.130456D+02 -0.459402D+01 -0.642513D+00  0.946516D+01 -0.484992D+02
      6   0.472537D+01 -0.669271D+01  0.719265D+01  0.471625D+01 -0.104285D+02
                56            57            58            59            60 
      1   0.516594D+01 -0.283298D+02  0.482897D+01  0.124444D+02 -0.989193D+01
      2   0.350682D+01  0.201437D+02  0.143349D+02  0.163509D+02  0.535604D+01
      3  -0.867277D+01  0.818606D+01 -0.191639D+02 -0.287954D+02  0.453589D+01
      4   0.259656D+02 -0.992607D+01  0.468765D+02  0.438189D+02  0.697122D+01
      5  -0.805483D+01  0.263073D+02  0.174455D+01  0.789528D+01 -0.536859D+01
      6  -0.503576D+01  0.356625D+01 -0.175184D+01  0.111376D+02 -0.377466D+01
                61            62            63            64            65 
      1  -0.473783D+02 -0.146466D+02  0.228468D+02  0.424003D+01  0.199059D+01
      2   0.335015D+02  0.126541D+02 -0.201377D+02  0.354336D+01 -0.953730D+01
      3   0.138768D+02  0.199255D+01 -0.270905D+01 -0.778339D+01  0.754671D+01
      4  -0.678712D+01  0.918366D+01 -0.178289D+01 -0.112851D+02  0.185840D+02
      5   0.373325D+02 -0.198396D+00 -0.167456D+02  0.896666D+00 -0.497970D+01
      6   0.665207D+01 -0.247130D+01  0.900944D+01 -0.163759D+01  0.572029D+01
                66            67            68            69            70 
      1  -0.224609D+01  0.186617D+01 -0.231135D+02  0.630491D+01 -0.186095D+01
      2   0.309066D+01 -0.103192D+02  0.444913D+02 -0.619146D+01 -0.409862D-01
      3  -0.844568D+00  0.845300D+01 -0.213778D+02 -0.113448D+00  0.190193D+01
      4  -0.426587D+01  0.175290D+02 -0.372381D+02  0.837336D+01  0.146522D+01
      5   0.442811D+01 -0.514354D+01  0.102213D+02 -0.545822D+01  0.732368D+00
      6  -0.253688D+01  0.775625D+01 -0.187217D+02  0.990880D+01 -0.167655D+01
                71            72            73            74            75 
      1   0.593904D+00 -0.531082D+01 -0.383292D+00  0.425540D+00  0.469544D+01
      2   0.549374D+01  0.102027D+01 -0.193492D+01 -0.841939D+00  0.119080D+01
      3  -0.608765D+01  0.429054D+01  0.231821D+01  0.416398D+00 -0.588624D+01
      4  -0.205229D+01 -0.464963D+01  0.822545D+00  0.370968D+01 -0.192563D+01
      5  -0.415309D+01  0.307956D+01 -0.232897D+00 -0.984292D+00  0.608302D+01
      6   0.574054D+01 -0.316711D+01  0.114903D+01 -0.937139D-01  0.122086D+01
                76            77            78            79            80 
      1   0.245549D+01 -0.462275D+01 -0.438443D+01  0.759006D+00  0.765255D+01
      2  -0.227415D+01  0.312621D+01 -0.680615D+01 -0.233784D+01 -0.277647D+00
      3  -0.181335D+00  0.149654D+01  0.111906D+02  0.157883D+01 -0.737491D+01
      4   0.267483D+01 -0.262192D+01  0.344818D+01  0.174865D+00  0.464949D+01
      5   0.224720D+01  0.317638D+01  0.287676D+01  0.661643D+01 -0.397915D+01
      6   0.181563D+01 -0.145168D+01  0.615235D+01 -0.861864D+00  0.814698D+01
                81            82            83            84            85 
      1  -0.344642D+02  0.423998D+01 -0.199060D+01 -0.224616D+01 -0.186614D+01
      2  -0.236869D+02  0.354326D+01  0.953692D+01  0.309077D+01  0.103187D+02
      3   0.581510D+02 -0.778324D+01 -0.754632D+01 -0.844615D+00 -0.845258D+01
      4  -0.326329D+01  0.112849D+02  0.185836D+02  0.426612D+01  0.175287D+02
      5   0.211981D+02  0.896832D+00  0.497995D+01  0.442829D+01  0.514394D+01
      6  -0.135639D+02  0.163781D+01  0.572060D+01  0.253709D+01  0.775662D+01
                86            87            88            89            90 
      1  -0.231135D+02 -0.630535D+01 -0.186105D+01 -0.594324D+00 -0.531096D+01
      2   0.444905D+02  0.619200D+01 -0.407766D-01 -0.549293D+01  0.102018D+01
      3  -0.213770D+02  0.113356D+00  0.190182D+01  0.608725D+01  0.429078D+01
      4   0.372375D+02  0.837391D+01 -0.146486D+01 -0.205159D+01  0.464968D+01
      5   0.102219D+02  0.545856D+01  0.732438D+00  0.415320D+01  0.307981D+01
      6   0.187230D+02  0.990933D+01  0.167669D+01  0.574065D+01  0.316738D+01
                91            92            93            94            95 
      1  -0.383248D+00 -0.425752D+00  0.469530D+01 -0.245551D+01 -0.462260D+01
      2  -0.193484D+01  0.841922D+00  0.119087D+01  0.227411D+01  0.312592D+01
      3   0.231808D+01 -0.416170D+00 -0.588617D+01  0.181395D+00  0.149668D+01
      4  -0.822580D+00  0.370959D+01  0.192554D+01  0.267484D+01  0.262155D+01
      5  -0.232927D+00  0.984196D+00  0.608301D+01 -0.224735D+01  0.317636D+01
      6  -0.114919D+01 -0.936116D-01 -0.122066D+01  0.181569D+01  0.145125D+01
                96            97            98            99           100 
      1   0.438532D+01  0.758960D+00 -0.765163D+01 -0.344638D+02  0.931063D+01
      2   0.680652D+01 -0.233776D+01  0.278043D+00 -0.236872D+02 -0.251821D+01
      3  -0.111918D+02  0.157880D+01  0.737359D+01  0.581510D+02 -0.679242D+01
      4   0.344816D+01 -0.175006D+00  0.464931D+01  0.326282D+01 -0.740493D+01
      5  -0.287719D+01  0.661626D+01  0.397868D+01  0.211978D+02 -0.150000D+01
      6   0.615238D+01  0.861796D+00  0.814637D+01  0.135620D+02  0.181124D+01
               101           102           103           104           105 
      1  -0.845450D+01 -0.602260D+01 -0.359340D+01 -0.116326D+02 -0.101530D+02
      2   0.381832D+01  0.150085D+01  0.310333D+01  0.109941D+02  0.547550D+01
      3   0.463618D+01  0.452175D+01  0.490067D+00  0.638459D+00  0.467754D+01
      4   0.410348D+01  0.100046D+01  0.104929D+02 -0.153269D+02 -0.131539D+02
      5   0.369520D+00 -0.680984D+00  0.886373D+01 -0.139033D+02 -0.167562D+02
      6   0.275607D+01  0.326760D+01 -0.584393D+01  0.170791D+02  0.167363D+02
               106           107           108           109           110 
      1   0.192922D+01 -0.136698D+02 -0.159776D+02  0.883663D+02 -0.132655D+02
      2  -0.324921D+01  0.116883D+02  0.490757D+01 -0.404562D+02  0.396630D+01
      3   0.131999D+01  0.198145D+01  0.110700D+02 -0.479101D+02  0.929916D+01
      4   0.734394D+01 -0.168424D+02 -0.137850D+02 -0.324063D+02  0.160039D+02
      5   0.701580D+01 -0.144655D+02 -0.180608D+02  0.103387D+02 -0.167677D+01
      6  -0.636530D+01  0.180922D+02  0.192498D+02 -0.718246D+01  0.119106D+01
               111           112           113           114           115 
      1   0.966703D+01 -0.487318D+01  0.582749D+01  0.327901D+01  0.295043D+02
      2  -0.424883D+01  0.916689D+00 -0.117896D+01 -0.111257D+01 -0.165437D+02
      3  -0.541820D+01  0.395649D+01 -0.464853D+01 -0.216644D+01 -0.129606D+02
      4  -0.282641D+01  0.105147D+02 -0.326577D+01 -0.176586D+01 -0.253467D+01
      5   0.942703D+01  0.799574D+01 -0.232951D+01 -0.271842D+01  0.120826D+02
      6  -0.352647D+01 -0.137130D+01  0.206777D+01  0.237958D+01 -0.467750D+01
               116           117           118           119           120 
      1  -0.239514D+01  0.563288D+01  0.883663D+02  0.132659D+02  0.966707D+01
      2   0.128628D+01 -0.450360D+01 -0.404561D+02 -0.396642D+01 -0.424889D+01
      3   0.110887D+01 -0.112928D+01 -0.479101D+02 -0.929946D+01 -0.541819D+01
      4  -0.150568D+01 -0.471976D+01  0.324074D+02  0.160044D+02  0.282661D+01
      5  -0.309457D+01  0.566885D+01  0.103390D+02  0.167696D+01  0.942698D+01
      6   0.265407D+01 -0.440957D+00  0.718261D+01  0.119117D+01  0.352650D+01
               121           122           123           124           125 
      1   0.487376D+01  0.582770D+01 -0.327888D+01  0.295042D+02  0.239542D+01
      2  -0.916788D+00 -0.117889D+01  0.111250D+01 -0.165437D+02 -0.128644D+01
      3  -0.395697D+01 -0.464882D+01  0.216638D+01 -0.129605D+02 -0.110898D+01
      4   0.105154D+02  0.326634D+01 -0.176595D+01  0.253513D+01 -0.150566D+01
      5  -0.799561D+01 -0.232961D+01  0.271846D+01  0.120823D+02  0.309447D+01
      6  -0.137129D+01 -0.206780D+01  0.237958D+01  0.467741D+01  0.265408D+01
               126           127           128           129           130 
      1   0.563268D+01  0.931038D+01  0.845484D+01 -0.602269D+01  0.359334D+01
      2  -0.450346D+01 -0.251803D+01 -0.381865D+01  0.150097D+01 -0.310301D+01
      3  -0.112922D+01 -0.679235D+01 -0.463619D+01  0.452172D+01 -0.490330D+00
      4   0.471972D+01  0.740477D+01  0.410330D+01 -0.100021D+01  0.104930D+02
      5   0.566896D+01 -0.149974D+01 -0.369247D+00 -0.681289D+00 -0.886327D+01
      6   0.440988D+00 -0.181111D+01  0.275641D+01 -0.326791D+01 -0.584388D+01
               131           132           133           134           135 
      1  -0.116333D+02  0.101534D+02  0.192914D+01  0.136701D+02 -0.159775D+02
      2   0.109952D+02 -0.547612D+01 -0.324940D+01 -0.116890D+02  0.490817D+01
      3   0.638083D+00 -0.467726D+01  0.132027D+01 -0.198110D+01  0.110693D+02
      4   0.153273D+02 -0.131538D+02 -0.734358D+01 -0.168423D+02  0.137844D+02
      5  -0.139032D+02  0.167557D+02  0.701510D+01  0.144649D+02 -0.180596D+02
      6  -0.170795D+02  0.167363D+02  0.636488D+01  0.180920D+02 -0.192492D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.938575D+02      0.139082D+02      0.154750D+02
   aniso      0.429017D+02      0.635737D+01      0.707353D+01
   xx         0.121660D+03      0.180281D+02      0.200590D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.836483D+02      0.123954D+02      0.137917D+02
   zx        -0.449015D+01     -0.665371D+00     -0.740325D+00
   zy        -0.194382D-04     -0.288044D-05     -0.320493D-05
   zz         0.762644D+02      0.113012D+02      0.125743D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.938575D+02      0.139082D+02      0.154750D+02
   aniso      0.429017D+02      0.635737D+01      0.707353D+01
   xx         0.121660D+03      0.180281D+02      0.200589D+02
   yx         0.449124D+01      0.665533D+00      0.740505D+00
   yy         0.762646D+02      0.113012D+02      0.125743D+02
   zx        -0.898731D-03     -0.133178D-03     -0.148181D-03
   zy        -0.121092D-03     -0.179441D-04     -0.199655D-04
   zz         0.836483D+02      0.123954D+02      0.137917D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-26\Freq\RB3LYP\Gen\C7H8\PIERPA\22-Jul-2021\0\\#P B3LY
 P/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,Max
 Cyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations
 .\\0,1\C,0.990052,0.90856,1.004401\C,-0.000001,0.353124,0.000001\C,1.3
 53354,-0.135911,0.027075\C,2.271045,-0.94401,-0.460952\C,-0.990057,0.9
 08584,-1.004381\C,-1.353358,-0.135911,-0.027085\C,-2.271038,-0.944025,
 0.460937\H,-1.356942,1.9172,-0.842556\H,-0.864204,0.629254,-2.045363\H
 ,1.356934,1.917181,0.842602\H,0.864199,0.629198,2.045374\H,2.047716,-1
 .619089,-1.278071\H,3.277396,-0.958534,-0.06079\H,-3.277391,-0.958559,
 0.060781\H,-2.047691,-1.619115,1.278043\\Version=ES64L-G16RevA.03\Stat
 e=1-A\HF=-271.5344021\RMSD=6.437e-09\RMSF=5.611e-07\ZeroPoint=0.122750
 8\Thermal=0.1297727\Dipole=-0.0000046,0.1919616,-0.0000008\DipoleDeriv
 =0.1264475,0.0489096,-0.0330084,-0.107089,0.0080342,-0.1568144,-0.0875
 983,-0.1738095,-0.0325554,-0.8283802,0.0000026,-0.2653028,0.0000029,0.
 2038351,0.0000026,-0.2729419,0.0000015,0.1401709,0.5122792,-0.0628177,
 0.113937,-0.0667686,0.0302683,0.1837751,0.2268916,0.2521033,0.0721538,
 -0.1716516,0.023083,0.1234357,0.0607121,-0.1983338,0.120064,0.1212704,
 0.0971701,-0.1137214,0.126458,-0.0489081,-0.0330103,0.107097,0.0080277
 ,0.1568149,-0.0875996,0.1738079,-0.0325421,0.5122733,0.0628117,0.11393
 81,0.0667577,0.0302795,-0.1837772,0.2268975,-0.2521051,0.0721426,-0.17
 16478,-0.0230827,0.1234353,-0.0607091,-0.1983286,-0.1200645,0.1212742,
 -0.0971666,-0.1137274,-0.0094626,0.0506725,0.0092362,0.0474007,-0.0821
 676,0.0435327,-0.0259001,-0.0100317,0.0221289,0.0193903,0.0002927,0.01
 16142,0.0178429,0.0142049,-0.0274042,-0.0235883,0.0297679,-0.0951346,-
 0.0094619,-0.0506729,0.0092346,-0.0474,-0.0821673,-0.0435352,-0.025901
 ,0.010029,0.0221276,0.0193917,-0.0002932,0.0116141,-0.0178425,0.014203
 7,0.0274075,-0.0235887,-0.0297647,-0.0951332,0.0326647,-0.0080111,-0.0
 546826,0.0388488,0.0318793,-0.1012321,-0.0011762,-0.1126646,0.0096611,
 -0.0954822,0.0441406,-0.0378775,0.0310071,0.0941961,-0.0556625,-0.0734
 297,-0.0445066,0.0673797,-0.0954827,-0.044141,-0.0378787,-0.0310104,0.
 0941936,0.0556621,-0.0734311,0.0445055,0.0673831,0.0326643,0.0080138,-
 0.054685,-0.0388495,0.0318748,0.1012313,-0.0011788,0.1126636,0.0096662
 \Polar=109.5529137,-0.0000092,76.4921559,-3.6327118,-0.0000173,69.8519
 726\Quadrupole=-0.2277423,-0.0053326,0.2330749,-0.0000093,0.7173551,-0
 .000017\PG=C01 [X(C7H8)]\NImag=0\\0.24646775,0.11688443,0.56213509,-0.
 02264983,-0.00023229,0.59971420,-0.08093336,-0.06996960,-0.08628316,0.
 68331241,-0.03304182,-0.06088938,-0.01981109,-0.00000363,0.26599151,-0
 .05249518,-0.03804462,-0.10988216,0.13044518,-0.00000084,0.30489782,-0
 .03963668,0.04772873,0.05952093,-0.23084213,0.07105059,0.00232031,0.64
 127160,0.01979715,-0.14879811,-0.08977668,0.08910637,-0.06867824,0.019
 60230,-0.34829118,0.48595139,0.02875616,-0.07753429,-0.13094116,0.0278
 0106,0.01107823,-0.03502698,-0.16802079,0.23109148,0.31700538,0.001776
 79,0.00005524,-0.00046717,-0.02491374,0.01630128,0.00694885,-0.3189530
 6,0.21220586,0.11361053,0.69083881,0.01217886,-0.00801138,-0.00610164,
 0.00789251,-0.00236541,-0.00246433,0.20966493,-0.24642612,-0.13348357,
 -0.19680457,0.44494164,0.01273794,-0.01124435,-0.00410131,-0.00302492,
 0.00052088,0.00358888,0.11095722,-0.13251992,-0.13823405,0.03347848,0.
 29195716,0.42508919,-0.01129673,0.00137663,0.00087496,-0.08093459,0.03
 304364,-0.05249536,-0.01739559,0.01059700,-0.01911201,0.00398498,-0.00
 272975,-0.00012099,0.24646964,-0.00137680,0.01657288,-0.01466292,0.069
 97244,-0.06089046,0.03804581,-0.00688774,-0.01442970,0.01077352,0.0024
 1387,0.00114941,-0.00002525,-0.11688338,0.56213515,0.00087496,0.014663
 81,-0.01562479,-0.08628224,0.01981248,-0.10988088,-0.00650078,-0.01025
 890,0.01097218,0.00166031,-0.00001009,0.00027726,-0.02265285,0.0002273
 4,0.59971589,-0.01739554,0.00688771,-0.00650076,-0.23083838,-0.0710486
 6,0.00231829,-0.03340615,-0.01191299,-0.00588194,0.00669874,-0.0010069
 9,-0.00037108,-0.03963612,-0.04773129,0.05952057,0.64126129,-0.0105964
 4,-0.01442958,0.01025815,-0.08910568,-0.06867757,-0.01960264,0.0119131
 7,0.01252252,-0.01000873,0.00003456,0.00126418,0.00172766,-0.01979907,
 -0.14880506,0.08977828,0.34829371,0.48596804,-0.01911233,-0.01077424,0
 .01097213,0.02779901,-0.01107862,-0.03502864,-0.00588179,0.01000942,-0
 .01473885,0.00333092,-0.00112872,0.00139036,0.02875703,0.07753664,-0.1
 3093857,-0.16801594,-0.23109483,0.31700110,0.00398500,-0.00241386,0.00
 166025,-0.02491409,-0.01630193,0.00694890,0.00669880,-0.00003468,0.003
 33093,-0.00174398,0.00032368,-0.00040572,0.00177678,-0.00005496,-0.000
 46737,-0.31894759,-0.21220732,0.11360771,0.69083724,0.00272974,0.00114
 942,0.00001019,-0.00789272,-0.00236569,0.00246414,0.00100699,0.0012641
 9,0.00112868,-0.00032365,-0.00026577,-0.00029132,-0.01217878,-0.008011
 42,0.00610160,-0.20966700,-0.24643473,0.13348494,0.19680563,0.44495431
 ,-0.00012094,0.00002530,0.00027724,-0.00302494,-0.00052105,0.00358921,
 -0.00037108,-0.00172767,0.00139030,-0.00040572,0.00029133,0.00012208,0
 .01273727,0.01124391,-0.00410095,0.11095470,0.13252151,-0.13823187,0.0
 3348324,-0.29195632,0.42507816,0.00151463,-0.00366555,0.00256179,-0.01
 124570,0.02568818,0.00575513,0.00349660,0.00399456,-0.00216931,-0.0012
 8554,-0.00028253,-0.00061198,-0.06624468,0.08845550,0.01744343,0.00644
 268,-0.01802359,-0.00933523,0.00073305,0.00000984,0.00158685,0.0686563
 0,0.00004924,0.00092745,0.00019045,-0.00061059,-0.00026185,0.00392228,
 -0.00147121,0.00044418,-0.00080714,-0.00003957,-0.00003160,0.00008790,
 0.09105152,-0.28460012,-0.04710244,0.00625487,-0.01742209,-0.00019749,
 0.00126125,0.00126974,0.00009542,-0.09796157,0.30404218,0.00036874,-0.
 00173271,0.00236503,-0.00563108,0.01442945,-0.00200488,0.00253822,0.00
 197543,-0.00097355,-0.00075077,-0.00000665,0.00006222,0.01681281,-0.04
 588491,-0.05512505,-0.00637117,0.01471413,-0.00109349,-0.00074381,-0.0
 0049538,0.00082668,-0.01587084,0.04323884,0.05673770,0.00169856,0.0038
 6739,-0.00440720,0.00295579,-0.01004682,-0.02615649,0.00178408,-0.0033
 0925,0.00348332,-0.00018713,0.00051445,0.00049361,-0.04103504,0.014030
 82,0.03638740,-0.00428273,0.01034452,0.01577020,0.00136315,-0.00129698
 ,0.00034484,-0.00059930,0.00149521,0.00950715,0.03980376,-0.00089068,-
 0.00023226,0.00035515,0.00120854,-0.00366340,0.00443242,-0.00055328,0.
 00146224,-0.00051981,0.00004058,0.00009927,0.00020280,0.01351377,-0.06
 770923,-0.07431686,-0.00143298,0.00559170,0.02135916,0.00098939,0.0005
 5442,-0.00011938,0.00199133,-0.00406662,-0.02602462,-0.01461764,0.0684
 2351,0.00213765,0.00140414,-0.00091771,0.00000846,0.00050525,-0.011853
 97,0.00070785,-0.00094612,0.00242724,-0.00063263,0.00002349,-0.0001032
 7,0.03422109,-0.07646324,-0.29922000,-0.00057841,0.00129088,-0.0127067
 2,-0.00111960,-0.00095135,0.00087416,0.00014199,-0.00019056,-0.0008652
 1,-0.03457463,0.07502719,0.32251007,-0.06624392,-0.08845562,0.01744108
 ,-0.01124568,-0.02568838,0.00575434,0.00644265,0.01802380,-0.00933475,
 0.00073305,-0.00000985,0.00158685,0.00151463,0.00366549,0.00256190,0.0
 0349659,-0.00399448,-0.00216942,-0.00128554,0.00028254,-0.00061195,-0.
 00086962,0.00049325,-0.00069695,0.00045044,0.00013383,0.00002872,0.068
 65566,-0.09105168,-0.28460357,0.04709665,0.00061077,-0.00026150,-0.003
 92221,-0.00625474,-0.01742147,0.00019707,-0.00126120,0.00126968,-0.000
 09543,-0.00004926,0.00092740,-0.00019050,0.00147114,0.00044422,0.00080
 718,0.00003959,-0.00003159,-0.00008790,-0.00049322,-0.00029227,-0.0003
 0851,-0.00010037,0.00004903,-0.00002777,0.09796163,0.30404538,0.016810
 41,0.04587914,-0.05512277,-0.00563100,-0.01442953,-0.00200537,-0.00637
 143,-0.01471446,-0.00109384,-0.00074383,0.00049538,0.00082668,0.000368
 73,0.00173268,0.00236506,0.00253826,-0.00197538,-0.00097357,-0.0007507
 8,0.00000665,0.00006222,-0.00069696,0.00030850,-0.00017805,0.00044411,
 -0.00005596,0.00011338,-0.01586814,-0.04323250,0.05673543,-0.04103475,
 -0.01403215,0.03638712,0.00295579,0.01004759,-0.02615618,-0.00428271,-
 0.01034486,0.01577001,0.00136315,0.00129692,0.00034483,0.00169855,-0.0
 0386726,-0.00440734,0.00178405,0.00330914,0.00348340,-0.00018712,-0.00
 051445,0.00049360,0.00045044,0.00010036,0.00044412,-0.00180674,0.00009
 024,-0.00060115,-0.00059936,-0.00149541,0.00950702,0.03980354,-0.01351
 503,-0.06771389,0.07432430,-0.00120846,-0.00366321,-0.00443227,0.00143
 298,0.00559221,-0.02135865,-0.00098936,0.00055443,0.00011939,0.0008906
 4,-0.00023222,-0.00035514,0.00055324,0.00146218,0.00051978,-0.00004055
 ,0.00009928,-0.00020280,-0.00013383,0.00004903,0.00005596,-0.00009023,
 0.00028766,-0.00008469,-0.00199128,-0.00406729,0.02602445,0.01461878,0
 .06842810,0.03422076,0.07647059,-0.29921634,0.00000846,-0.00050506,-0.
 01185410,-0.00057841,-0.00129032,-0.01270737,-0.00111961,0.00095134,0.
 00087420,0.00213769,-0.00140410,-0.00091778,0.00070790,0.00094609,0.00
 242729,-0.00063265,-0.00002349,-0.00010328,0.00002872,0.00002777,0.000
 11338,-0.00060115,0.00008470,-0.00004479,0.00014191,0.00019039,-0.0008
 6439,-0.03457427,-0.07503512,0.32250634,0.00040350,0.00419024,-0.00144
 127,0.00019713,-0.00301628,0.00114925,0.00668665,0.01730395,0.01967948
 ,-0.06706483,-0.03559413,-0.05269033,0.00025508,-0.00028970,-0.0002812
 1,-0.00023421,0.00022316,0.00020710,-0.00011934,-0.00004303,-0.0001525
 9,0.00017013,-0.00000974,0.00000231,-0.00011769,0.00004987,-0.00010642
 ,-0.00094235,0.00063007,0.00043355,0.00019758,-0.00031172,-0.00015963,
 0.06272794,0.00262183,0.00796651,-0.00636111,-0.00244082,-0.00404672,0
 .00593886,-0.00160003,-0.01159826,-0.01767721,-0.03410566,-0.14938504,
 -0.13967645,0.00114466,-0.00081581,-0.00070410,-0.00033061,0.00070228,
 0.00085518,-0.00018258,0.00003479,-0.00019939,0.00028771,0.00004306,0.
 00013369,0.00004431,0.00000669,-0.00002773,-0.00128588,0.00094130,0.00
 080877,0.00169821,-0.00159083,-0.00068008,0.03304501,0.15491379,-0.003
 23690,-0.00561431,0.00751379,0.00254276,0.00545444,-0.00376984,-0.0010
 1439,-0.00988351,-0.00687478,-0.05089989,-0.14024259,-0.20389661,-0.00
 039932,0.00080892,0.00063312,0.00062766,-0.00108456,-0.00044793,0.0002
 0302,0.00001926,0.00022265,-0.00027789,0.00000112,-0.00011977,0.000081
 19,-0.00012958,0.00007671,0.00158379,-0.00113545,-0.00085698,-0.001174
 91,0.00121414,0.00051995,0.05260607,0.15674713,0.21162219,0.00099978,-
 0.00193173,0.00294002,0.00312468,0.00183625,-0.00274319,-0.02216969,0.
 00284185,-0.00777799,-0.29107809,0.00447308,-0.10229057,-0.00056013,0.
 00081156,0.00064447,0.00053983,-0.00024555,-0.00034179,-0.00004981,-0.
 00004034,0.00006923,-0.00039599,-0.00006401,-0.00009351,0.00015806,-0.
 00000713,0.00004789,0.00011931,-0.00008106,0.00005127,-0.00038280,0.00
 082755,0.00047882,-0.00212781,0.00112113,-0.00070664,0.31186450,-0.003
 73097,-0.00464799,0.00522424,0.00455868,0.00690933,-0.00686665,0.02238
 485,0.00145612,0.00633663,0.00267689,-0.04288161,-0.01067902,-0.001086
 84,0.00139068,0.00121753,0.00045471,-0.00204322,-0.00163899,0.00038684
 ,0.00005354,0.00028344,-0.00034966,-0.00002536,-0.00018526,0.00023500,
 -0.00018698,0.00028667,0.00080302,-0.00101702,-0.00089929,-0.00062779,
 0.00097484,0.00052623,-0.01613951,0.00293913,-0.00627908,-0.00958113,0
 .03690725,0.00099560,0.00591736,-0.00421376,-0.00063515,-0.00727693,0.
 00650039,0.01312119,-0.00145529,0.00806437,-0.10415898,-0.01015300,-0.
 08585456,0.00111227,-0.00162536,-0.00145555,-0.00105472,0.00119032,0.0
 0117903,-0.00005351,0.00010883,-0.00026372,0.00060722,0.00005884,0.000
 26359,-0.00025870,0.00000879,-0.00014956,-0.00074671,0.00076895,0.0008
 4838,0.00066127,-0.00091014,-0.00066027,-0.01928895,0.00085977,-0.0045
 3536,0.10966943,0.01264406,0.08036068,-0.00056014,-0.00081158,0.000644
 44,0.00312474,-0.00183630,-0.00274322,0.00053984,0.00024558,-0.0003418
 1,-0.00004981,0.00004034,0.00006923,0.00099965,0.00193166,0.00294012,-
 0.02216931,-0.00284192,-0.00777781,-0.29107967,-0.00447527,-0.10228956
 ,0.00011933,0.00008108,0.00005125,-0.00038279,-0.00082757,0.00047880,-
 0.00039599,0.00006402,-0.00009351,0.00015806,0.00000713,0.00004789,-0.
 00002833,-0.00000005,0.00002320,-0.00001350,-0.00003949,0.00002936,0.3
 1186610,0.00108683,0.00139068,-0.00121748,-0.00455865,0.00690905,0.006
 86675,-0.00045466,-0.00204325,0.00163896,-0.00038684,0.00005355,-0.000
 28344,0.00373093,-0.00464773,-0.00522424,-0.02238512,0.00145617,-0.006
 33673,-0.00267939,-0.04288226,0.01067804,-0.00080299,-0.00101702,0.000
 89926,0.00062776,0.00097483,-0.00052620,0.00034965,-0.00002537,0.00018
 525,-0.00023500,-0.00018698,-0.00028668,-0.00005540,-0.00016515,0.0001
 8122,0.00003948,0.00033646,-0.00021072,0.00958358,0.03690779,0.0011122
 9,0.00162542,-0.00145553,-0.00063525,0.00727692,0.00650063,-0.00105473
 ,-0.00119038,0.00117905,-0.00005351,-0.00010883,-0.00026373,0.00099566
 ,-0.00591727,-0.00421399,0.01312114,0.00145534,0.00806431,-0.10415819,
 0.01015200,-0.08585290,-0.00074671,-0.00076899,0.00084838,0.00066126,0
 .00091018,-0.00066025,0.00060723,-0.00005885,0.00026359,-0.00025871,-0
 .00000878,-0.00014956,0.00000038,-0.00007451,0.00005710,0.00002935,0.0
 0021073,-0.00014078,0.10966837,-0.01264304,0.08035877,0.00025509,0.000
 28972,-0.00028121,0.00019713,0.00301630,0.00114935,-0.00023421,-0.0002
 2316,0.00020710,-0.00011934,0.00004303,-0.00015259,0.00040355,-0.00419
 021,-0.00144136,0.00668684,-0.01730422,0.01967894,-0.06706689,0.035597
 47,-0.05269294,-0.00094234,-0.00063009,0.00043354,0.00019758,0.0003117
 2,-0.00015962,0.00017013,0.00000973,0.00000231,-0.00011769,-0.00004987
 ,-0.00010643,-0.00000344,-0.00001721,0.00004225,-0.00002833,0.00005540
 ,0.00000038,-0.00212818,0.01613983,-0.01928861,0.06273010,-0.00114465,
 -0.00081585,0.00070409,0.00244083,-0.00404644,-0.00593900,0.00033060,0
 .00070229,-0.00085515,0.00018257,0.00003478,0.00019939,-0.00262172,0.0
 0796622,0.00636126,0.00160026,-0.01159904,0.01767732,0.03410889,-0.149
 38823,0.13967556,0.00128584,0.00094130,-0.00080873,-0.00169818,-0.0015
 9085,0.00068004,-0.00028771,0.00004307,-0.00013370,-0.00004431,0.00000
 669,0.00002772,0.00001721,0.00005427,-0.00005718,0.00000005,-0.0001651
 5,0.00007451,-0.00112121,0.00293925,-0.00085993,-0.03304845,0.15491769
 ,-0.00039933,-0.00080896,0.00063314,0.00254279,-0.00545454,-0.00377009
 ,0.00062768,0.00108460,-0.00044794,0.00020303,-0.00001927,0.00022266,-
 0.00323699,0.00561424,0.00751405,-0.00101450,0.00988377,-0.00687457,-0
 .05090242,0.14024156,-0.20389000,0.00158380,0.00113550,-0.00085697,-0.
 00117491,-0.00121419,0.00051993,-0.00027790,-0.00000112,-0.00011978,0.
 00008119,0.00012958,0.00007671,0.00004226,0.00005719,-0.00014424,0.000
 02320,-0.00018123,0.00005710,-0.00070677,0.00627905,-0.00453508,0.0526
 0887,-0.15674620,0.21161509\\-0.00000024,0.00000111,0.00000158,0.00000
 060,-0.00000085,-0.00000060,-0.00000038,-0.00000078,-0.00000016,-0.000
 00051,-0.00000041,0.00000046,0.00000053,0.00000014,0.00000041,-0.00000
 092,-0.00000006,-0.00000123,0.00000046,0.00000028,-0.00000027,0.000000
 31,-0.00000008,-0.00000035,0.00000041,0.00000012,-0.00000012,-0.000000
 47,-0.00000013,0.00000015,-0.00000036,-0.00000009,-0.00000008,0.000000
 57,0.00000037,0.00000096,0.00000026,0.00000026,0.00000076,0.,-0.000000
 11,-0.00000101,-0.00000025,0.00000021,-0.00000050\\\@


 FIREWORKS ENDED
 AND SPECTATORS GONE AWAY....
 AH, HOW VAST AND DARK
                     SHIKI
 Job cpu time:       0 days  2 hours 13 minutes  5.4 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 42.4 seconds.
 File lengths (MBytes):  RWF=    284 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 18:20:33 2021.
